Geometry & MOs

Info

ID:	36965
PubChem CID:	8015447
Reduced:	ClO2N3C20H24 (1)
Stoich.:	AB2C3D20E24 (1)
Weight, g/mol:	375.194677
ΔH_f, kcal/mol:	-41.01
Dipole, Da:	5.63
IP(EA), eV:	-8.3(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-naphthalen-2-ylpropanamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=C(C=CC(=C1)Cl)OC)N2CCN(CC2)C3=CC=CC=C3

DOS

IR

Vibrations