Geometry & MOs

Info

ID:	82249
PubChem CID:	49855806
Reduced:	NO2C9H9 (2)
Stoich.:	AB2C9D9 (2)
Weight, g/mol:	522.237939
ΔH_f, kcal/mol:	-109.69
Dipole, Da:	8.02
IP(EA), eV:	-9.51(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-[(2,3-dimethyl-4-oxoquinazolin-6-yl)methyl]amino]-N-(pyridin-3-ylmethyl)benzamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1=CN=C(C=C1)C(=O)C(=O)C2=CC=CC=C2

DOS

IR

Vibrations