Geometry & MOs

Info

ID:	252861
PubChem CID:	103114664
Reduced:	NOC8H10 (2)
Stoich.:	ABC8D10 (2)
Weight, g/mol:	259.132077
ΔH_f, kcal/mol:	35.61
Dipole, Da:	4.94
IP(EA), eV:	-9.38(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-methyl-3-nitrophenyl)methyl]-1-(1-methylpyrrol-3-yl)methanamine

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])CNCC2CC3CC2C=C3

DOS

IR

Vibrations