Geometry & MOs

Info

ID:	195456
PubChem CID:	78687572
Reduced:	Cl2O2N3C20H21 (1)
Stoich.:	A2B2C3D20E21 (1)
Weight, g/mol:	338.199428
ΔH_f, kcal/mol:	-38.94
Dipole, Da:	6.03
IP(EA), eV:	-8.51(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-N-[2-(3-methylphenoxy)ethyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2CC2)C)C=CC(=O)NCC(=O)NC3=C(C=CC(=C3)Cl)Cl

DOS

IR

Vibrations