Geometry & MOs

Info

ID:	198425
PubChem CID:	79100111
Reduced:	NOC8H11 (2)
Stoich.:	ABC8D11 (2)
Weight, g/mol:	259.132077
ΔH_f, kcal/mol:	-31.0
Dipole, Da:	4.57
IP(EA), eV:	-8.11(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-dimethyl-N-[(2-methyl-3-nitrophenyl)methyl]pyrrol-1-amine

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1OCCNN2C(=CC=C2C)C

DOS

IR

Vibrations