Geometry & MOs

Info

ID:	153665
PubChem CID:	56312953
Reduced:	FO3N4C24H27 (1)
Stoich.:	AB3C4D24E27 (1)
Weight, g/mol:	457.218841
ΔH_f, kcal/mol:	-72.43
Dipole, Da:	0.75
IP(EA), eV:	-9.13(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-2-[4-[3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propanoyl]piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1CC1)N2CCN(CC2)C(=O)/C=C/C3=CC(=C(C=C3)OC4=CN=CC=C4)F

DOS

IR

Vibrations