Geometry & MOs

Info

ID:	260247
PubChem CID:	103186311
Reduced:	O2N4C11H16 (1)
Stoich.:	A2B4C11D16 (1)
Weight, g/mol:	273.111341
ΔH_f, kcal/mol:	27.94
Dipole, Da:	3.51
IP(EA), eV:	-9.31(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[(3,5-dimethyl-4-nitropyridin-2-yl)methyl]pyrrol-2-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CN=C(C(=C1[N+](=O)[O-])C)CN2CC(C2)N

DOS

IR

Vibrations