Geometry & MOs

Info

ID:	135651
PubChem CID:	51909895
Reduced:	ON4C27H33 (1)
Stoich.:	AB4C27D33 (1)
Weight, g/mol:	450.187875
ΔH_f, kcal/mol:	38.66
Dipole, Da:	6.59
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.774175
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)CN[C@H]2C[C@H]([NH+](C2)CC3=CC=CC=C3)C(=O)NCC4=CN=CC=C4

DOS

IR

Vibrations