Geometry & MOs

Info

ID:	129643
PubChem CID:	51073433
Reduced:	ClON2H15C16 (1)
Stoich.:	ABC2D15E16 (1)
Weight, g/mol:	311.163377
ΔH_f, kcal/mol:	25.61
Dipole, Da:	2.15
IP(EA), eV:	-9.62(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-acetyl-N-cyclopropyl-3,5-dimethyl-N-(pyridin-2-ylmethyl)-1H-pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

C1CC1N(CC2=CC=CC=N2)C(=O)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations