Geometry & MOs

Info

ID:	257281
PubChem CID:	103144891
Reduced:	O2N3C11H15 (1)
Stoich.:	A2B3C11D15 (1)
Weight, g/mol:	252.147393
ΔH_f, kcal/mol:	14.35
Dipole, Da:	7.02
IP(EA), eV:	-9.04(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methoxybutan-2-yl)-2,5-dimethyl-4-nitroaniline

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1[N+](=O)[O-])C)NC2CNC2

DOS

IR

Vibrations