Geometry & MOs

Info

ID:	233470
PubChem CID:	90944765
Reduced:	CH (30)
Stoich.:	AB (30)
Weight, g/mol:	368.150285
ΔH_f, kcal/mol:	43.19
Dipole, Da:	0.31
IP(EA), eV:	-8.05(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S)-2-acetyl-4-(4-chloro-3-methoxyphenyl)piperazine-1-carboxylate

Drug info:

PubChemData

Smile

CC.CC1(C2=C3C(=CC=C4C3=C(C=C2)C5=CC=CC=C5C4(C)C)C6=CC=CC=C61)C

DOS

IR

Vibrations