Geometry & MOs

Info

ID:	82250
PubChem CID:	49855807
Reduced:	ON2C10H10 (3)
Stoich.:	AB2C10D10 (3)
Weight, g/mol:	467.232125
ΔH_f, kcal/mol:	11.26
Dipole, Da:	6.32
IP(EA), eV:	-8.58(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(E)-but-2-enyl]-[(2,3-dimethyl-4-oxoquinazolin-6-yl)methyl]amino]-N-(pyridin-3-ylmethyl)benzamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)CN(CC2=CC3=C(C=C2)N=C(N(C3=O)C)C)C4=CC=C(C=C4)C(=O)NCC5=CN=CC=C5

DOS

IR

Vibrations