Geometry & MOs

Info

ID:	138974
PubChem CID:	52453336
Reduced:	N3O4C24H31 (1)
Stoich.:	A3B4C24D31 (1)
Weight, g/mol:	361.18017
ΔH_f, kcal/mol:	-157.18
Dipole, Da:	5.1
IP(EA), eV:	-8.73(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-1-(2-fluorophenyl)-4-[4-(2-methylpropanoyl)piperazine-1-carbonyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)CN3C(=O)[C@@](NC3=O)(C)CC(C)C)C

DOS

IR

Vibrations