Geometry & MOs

Info

ID:	142163
PubChem CID:	52994307
Reduced:	NO2C16H24 (2)
Stoich.:	AB2C16D24 (2)
Weight, g/mol:	315.088688
ΔH_f, kcal/mol:	-235.81
Dipole, Da:	7.32
IP(EA), eV:	-8.72(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-aminoquinazolin-2-yl)amino]benzamide;hydrochloride

Drug info:

PubChemData

Smile

C[C@H](CCC(=O)NC1=CC=CC(=C1)NC(=O)C)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3[C@H](C[C@H]5[C@@]4(CC[C@H](C5)O)C)O)C

DOS

IR

Vibrations