Geometry & MOs

Info

ID:	170195
PubChem CID:	75206049
Reduced:	O3N5C25H37 (1)
Stoich.:	A3B5C25D37 (1)
Weight, g/mol:	405.155178
ΔH_f, kcal/mol:	-137.7
Dipole, Da:	2.8
IP(EA), eV:	-8.09(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-one

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C2=CC(=C(C=C2)NC(=O)CN3C4CCCCC4C(=O)N(C3=O)CC)C

DOS

IR

Vibrations