Geometry & MOs

Info

ID:	290403
PubChem CID:	104462212
Reduced:	O2N5C12H13 (1)
Stoich.:	A2B5C12D13 (1)
Weight, g/mol:	270.113506
ΔH_f, kcal/mol:	65.86
Dipole, Da:	6.1
IP(EA), eV:	-9.4(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-chloro-4-nitrophenyl)methyl]-2-ethylbutan-1-amine

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1[N+](=O)[O-])C(=NC=N2)NC/C=C/CN

DOS

IR

Vibrations