Geometry & MOs

Info

ID:	434985
PubChem CID:	135176146
Reduced:	ClON6H31C33 (1)
Stoich.:	ABC6D31E33 (1)
Weight, g/mol:	450.205576
ΔH_f, kcal/mol:	118.45
Dipole, Da:	6.73
IP(EA), eV:	-8.9(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[3-[7-cyano-5-(pyrrolidin-1-ylmethyl)-1,3-benzoxazol-2-yl]-2-methylphenyl]-2-methylphenyl]formamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1C2=NC3=CC(=CC(=C3O2)C#N)CN4CCCC4)C5=C(C(=CC=C5)N6C=C7CCN(CC7=N6)C)Cl

DOS

IR

Vibrations