Geometry & MOs

Info

ID:	260244
PubChem CID:	103186238
Reduced:	N3O4C13H17 (1)
Stoich.:	A3B4C13D17 (1)
Weight, g/mol:	264.158626
ΔH_f, kcal/mol:	-57.74
Dipole, Da:	6.09
IP(EA), eV:	-10.0(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3,5-dimethyl-4-nitropyridin-2-yl)methyl]piperidin-3-amine

Drug info:

PubChemData

Smile

CC1=CN=C(C(=C1[N+](=O)[O-])C)CN(CC=C)CC(=O)O

DOS

IR

Vibrations