Geometry & MOs

Info

ID:	136827
PubChem CID:	52108263
Reduced:	N4C15H21 (1)
Stoich.:	A4B15C21 (1)
Weight, g/mol:	256.168797
ΔH_f, kcal/mol:	41.2
Dipole, Da:	3.75
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.102771
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-2-[(3R)-3-methylpiperidin-1-yl]quinazolin-4-amine

Drug info:

PubChemData

Smile

C[C@@H]1CCCN(C1)C2=NC3=CC=CC=C3C(=[NH+]2)NC

DOS

IR

Vibrations