Geometry & MOs

Info

ID:	343501
PubChem CID:	127266674
Reduced:	O2N6C13H16 (1)
Stoich.:	A2B6C13D16 (1)
Weight, g/mol:	294.169191
ΔH_f, kcal/mol:	80.21
Dipole, Da:	3.88
IP(EA), eV:	-9.34(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-[(4-methyl-3-nitropyridin-2-yl)amino]-3-piperidin-1-ylpropan-2-ol

Drug info:

PubChemData

Smile

CC1=C(C(=NC=C1)NCC2=CN(N=N2)CCC=C)[N+](=O)[O-]

DOS

IR

Vibrations