Geometry & MOs

Info

ID:

297313

PubChem CID:

117614844

Reduced:

NH5C6 (9)

Stoich.:

AB5C6 (9)

Weight, g/mol:

363.194677

ΔHf, kcal/mol:

236.32

Dipole, Da:

5.75

IP(EA), eV:

 -8.59(-1.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5-amino-4-anilino-3,6-dihydro-2H-pyridin-1-yl)-(2,2-dimethyl-3H-1-benzofuran-7-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)N(C3=C2C(=NC(=C3)C)C)C4=C(C(=C(C(=C4C#N)N5C6=C(C=C(C(=C6)C)C)C7=C5C=C(N=C7C)C)C#N)N8C9=C(C=C(C(=C9)C)C)C1=C8C=C(N=C1C)C)C#N

DOS

IR

Vibrations