Geometry & MOs

Info

ID:	136825
PubChem CID:	52108245
Reduced:	O2N4C17H19 (1)
Stoich.:	A2B4C17D19 (1)
Weight, g/mol:	256.168797
ΔH_f, kcal/mol:	-3.83
Dipole, Da:	5.35
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.118027
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-2-[(2S)-2-methylpiperidin-1-yl]quinazolin-4-amine

Drug info:

PubChemData

Smile

CNC1=[NH+]C(=NC2=CC=CC=C21)NC3=CC(=CC(=C3)OC)OC

DOS

IR

Vibrations