Geometry & MOs

Info

ID:	195455
PubChem CID:	78687399
Reduced:	ClO2N3C19H24 (1)
Stoich.:	AB2C3D19E24 (1)
Weight, g/mol:	405.101082
ΔH_f, kcal/mol:	-35.31
Dipole, Da:	4.92
IP(EA), eV:	-8.84(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCN1C(=C(C(=N1)C)C=CC(=O)NC2=CC=CC=C2OCC)Cl

DOS

IR

Vibrations