Geometry & MOs

Info

ID:	166145
PubChem CID:	74642697
Reduced:	ClN2O4C21H23 (1)
Stoich.:	AB2C4D21E23 (1)
Weight, g/mol:	372.164934
ΔH_f, kcal/mol:	-143.11
Dipole, Da:	4.49
IP(EA), eV:	-9.81(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(difluoromethoxy)phenyl]-N-[(4-pyrrolidin-1-ylphenyl)methyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NCC(=O)OCC1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations