Geometry & MOs

Info

ID:	309575
PubChem CID:	126549226
Reduced:	N4O6C25H25 (1)
Stoich.:	A4B6C25D25 (1)
Weight, g/mol:	248.152478
ΔH_f, kcal/mol:	-130.64
Dipole, Da:	11.69
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752765
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-(1-methylcyclohexyl)-4-nitroaniline

Drug info:

PubChemData

Smile

C[N+](C)(CCNC(=O)C1=CC=C(C=C1)N2C(=O)C=CC2=O)CCN3C4=CC=CC=C4C(=O)OC3=O

DOS

IR

Vibrations