Geometry & MOs

Info

ID:	277014
PubChem CID:	103826248
Reduced:	NSF2O3C14H19 (1)
Stoich.:	ABC2D3E14F19 (1)
Weight, g/mol:	275.126991
ΔH_f, kcal/mol:	-217.73
Dipole, Da:	10.17
IP(EA), eV:	-8.93(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-methoxycyclohexyl)amino]-3-nitrobenzonitrile

Drug info:

PubChemData

Smile

COC1CCCC(C1)NC2=CC=C(C=C2)S(=O)(=O)C(F)F

DOS

IR

Vibrations