Geometry & MOs

Info

ID:	218572
PubChem CID:	85089634
Reduced:	N3O5C28H29 (1)
Stoich.:	A3B5C28D29 (1)
Weight, g/mol:	481.175004
ΔH_f, kcal/mol:	-119.8
Dipole, Da:	5.02
IP(EA), eV:	-8.36(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-methyl-4-oxo-6H-quinazolin-6-yl)methyl-prop-2-ynylamino]-N-[(3-nitrophenyl)methyl]benzamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2CC(C3C(N2)NC(=O)N(C3=O)C4=CC=CC=C4)C5=CC(=C(C=C5)OC)OC

DOS

IR

Vibrations