Geometry & MOs

Info

ID:	159997
PubChem CID:	57304358
Reduced:	ClOSN2H13C15 (1)
Stoich.:	ABCD2E13F15 (1)
Weight, g/mol:	152.094963
ΔH_f, kcal/mol:	46.87
Dipole, Da:	5.83
IP(EA), eV:	-8.78(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-nitrosobutyl)-1H-pyrrole

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N(C(=O)C2=CC=CC=C2)C(=S)NCl

DOS

IR

Vibrations