Geometry & MOs

Info

ID:	425803
PubChem CID:	135128074
Reduced:	BrN4C16H17 (1)
Stoich.:	AB4C16D17 (1)
Weight, g/mol:	374.174276
ΔH_f, kcal/mol:	70.0
Dipole, Da:	4.83
IP(EA), eV:	-8.01(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2,5-dimethoxyphenyl)-N-methyl-2-pyridin-3-yl-6,7-dihydroquinazolin-4-amine

Drug info:

PubChemData

Smile

CC(C)NC1=NC(=NC2=C1C=C(C=C2)Br)C3=CC=CNC3

DOS

IR

Vibrations