Geometry & MOs

Info

ID:	82252
PubChem CID:	49855809
Reduced:	O2N5H27C28 (1)
Stoich.:	A2B5C27D28 (1)
Weight, g/mol:	467.232125
ΔH_f, kcal/mol:	54.91
Dipole, Da:	7.48
IP(EA), eV:	-8.54(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC2=C(C=C(C=C2)CN(CCC#C)C3=CC=C(C=C3)C(=O)NCC4=CN=CC=C4)C(=O)N1C

DOS

IR

Vibrations