Geometry & MOs

Info

ID:	291775
PubChem CID:	113488286
Reduced:	SN5C11H23 (1)
Stoich.:	AB5C11D23 (1)
Weight, g/mol:	245.116427
ΔH_f, kcal/mol:	40.08
Dipole, Da:	7.7
IP(EA), eV:	-8.8(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1-ethylcyclobutyl)amino]-3-nitrobenzonitrile

Drug info:

PubChemData

Smile

CC(C)(C)NCC1=NN=NN1CCCCSC

DOS

IR

Vibrations