Geometry & MOs

Info

ID:	171999
PubChem CID:	75451950
Reduced:	ON5C16H17 (1)
Stoich.:	AB5C16D17 (1)
Weight, g/mol:	329.185175
ΔH_f, kcal/mol:	61.47
Dipole, Da:	4.04
IP(EA), eV:	-8.78(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methyl-3-piperidin-1-ylpropyl)-5-nitroquinazolin-4-amine

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)OC)NC2=CN(N=C2)CC3=CC=CC=C3

DOS

IR

Vibrations