Geometry & MOs

Info

ID:	74108
PubChem CID:	48421471
Reduced:	O2N3C18H27 (1)
Stoich.:	A2B3C18D27 (1)
Weight, g/mol:	381.124405
ΔH_f, kcal/mol:	-80.47
Dipole, Da:	5.57
IP(EA), eV:	-8.62(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-acetyl-N-[3-chloro-4-(1-phenylethylamino)phenyl]-1H-pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCC(N1C2CCCN(C2)C(=O)C3=CC(=CN3)C(=O)C)C

DOS

IR

Vibrations