Geometry & MOs

Info

ID:	69680
PubChem CID:	47205165
Reduced:	NOC8H13 (2)
Stoich.:	ABC8D13 (2)
Weight, g/mol:	297.16079
ΔH_f, kcal/mol:	-82.4
Dipole, Da:	2.71
IP(EA), eV:	-8.44(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[2-cyclohexyl-2-(dimethylamino)ethyl]-1H-pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(OC=C1)C(=O)NCC(C2CCCCC2)N(C)C

DOS

IR

Vibrations