Geometry & MOs

Info

ID:	156637
PubChem CID:	56371467
Reduced:	O2N3C26H33 (1)
Stoich.:	A2B3C26D33 (1)
Weight, g/mol:	449.206304
ΔH_f, kcal/mol:	-64.12
Dipole, Da:	5.56
IP(EA), eV:	-8.07(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]-N-(3-pyrrolidin-1-ylphenyl)butanamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)C2(CC2)C(=O)NC(C)CC(=O)NC3=CC(=CC=C3)N4CCCC4)C

DOS

IR

Vibrations