Geometry & MOs

Info

ID:	445344
PubChem CID:	135266290
Reduced:	ClNC13H16 (2)
Stoich.:	ABC13D16 (2)
Weight, g/mol:	407.17644
ΔH_f, kcal/mol:	53.55
Dipole, Da:	1.41
IP(EA), eV:	-7.84(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-chlorophenyl)-1,2-dimethyl-N-(1-methylazetidin-3-yl)-4-(3-methylphenyl)pyrrole-3-carboxamide

Drug info:

PubChemData

Smile

CCCN(CCC)C1=CC=CC(=C1)/C(=C(\C2=CC=C(C=C2)Cl)/N(C)C)/C(=C/Cl)/C=C

DOS

IR

Vibrations