Geometry & MOs

Info

ID:	314372
PubChem CID:	126621719
Reduced:	N3C14H27 (1)
Stoich.:	A3B14C27 (1)
Weight, g/mol:	355.0667
ΔH_f, kcal/mol:	14.0
Dipole, Da:	1.91
IP(EA), eV:	-7.92(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-nitrophenyl)naphtho[2,1-b][1]benzothiole

Drug info:

PubChemData

Smile

CCC(C)CC(CC)N(C=C)/C=C(\C=NC)/N

DOS

IR

Vibrations