Geometry & MOs

Info

ID:	210005
PubChem CID:	80749355
Reduced:	NOC7H12 (2)
Stoich.:	ABC7D12 (2)
Weight, g/mol:	286.142976
ΔH_f, kcal/mol:	-87.45
Dipole, Da:	1.06
IP(EA), eV:	-8.37(0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-ethyl-5-nitro-3-N-(2-pyridin-2-ylethyl)benzene-1,3-diamine

Drug info:

PubChemData

Smile

CC(C)OC1=CC(=CC(=C1)OCCCN(C)C)N

DOS

IR

Vibrations