Geometry & MOs

Info

ID:

444368

PubChem CID:

135262203

Reduced:

ClO6N8C37H43 (1)

Stoich.:

AB6C8D37E43 (1)

Weight, g/mol:

421.165108

ΔHf, kcal/mol:

-152.21

Dipole, Da:

7.51

IP(EA), eV:

 -9.04(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(6-methylpyridin-2-yl)-N-phenyl-4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide

Drug info:

PubChemData

Smile

CC1(C(C(C1OC2=CC(=C(C=C2)C#N)Cl)(C)C)NC(=O)C3=CN=C(C=C3)N4CCN(CC4)CCCOC5=CC(=O)N(N=C5)C6CCC(=O)NC6=O)C

DOS

IR

Vibrations