Geometry & MOs

Info

ID:	84200
PubChem CID:	49865026
Reduced:	N3O3H21C23 (1)
Stoich.:	A3B3C21D23 (1)
Weight, g/mol:	416.184841
ΔH_f, kcal/mol:	1.55
Dipole, Da:	4.82
IP(EA), eV:	-8.07(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-aminophenyl)methyl]-2-(3,4,5-trimethoxyphenyl)quinazolin-4-amine

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C2=NC3=CC=CC=C3C(=N2)NC4=CC=CC=C4

DOS

IR

Vibrations