Geometry & MOs

Info

ID:	257318
PubChem CID:	103145169
Reduced:	N2O2C17H20 (1)
Stoich.:	A2B2C17D20 (1)
Weight, g/mol:	280.178693
ΔH_f, kcal/mol:	2.4
Dipole, Da:	9.88
IP(EA), eV:	-8.74(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,5-dimethyl-4-nitroanilino)methyl]-2-ethylbutan-1-ol

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(C)NC2=C(C=C(C(=C2)C)[N+](=O)[O-])C

DOS

IR

Vibrations