Geometry & MOs

Info

ID:	427262
PubChem CID:	135156516
Reduced:	FON3C21H24 (1)
Stoich.:	ABC3D21E24 (1)
Weight, g/mol:	292.142307
ΔH_f, kcal/mol:	-19.62
Dipole, Da:	4.77
IP(EA), eV:	-8.55(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-4-[(4-methoxycarbonylphenyl)methyl]-3-methylpiperazine-1-carboxylic acid

Drug info:

PubChemData

Smile

C1CC1CN2CC(C2)CC3=CC=C(C=C3)C(=O)NC4=C(C=C(C=C4)F)N

DOS

IR

Vibrations