Geometry & MOs

Info

ID:	141299
PubChem CID:	52855878
Reduced:	NOSC19H25 (1)
Stoich.:	ABCD19E25 (1)
Weight, g/mol:	401.267842
ΔH_f, kcal/mol:	-2.86
Dipole, Da:	3.72
IP(EA), eV:	-8.1(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[4-(2-cyclohexylacetyl)piperazin-1-yl]-N-[(3-methoxyphenyl)methyl]propanamide

Drug info:

PubChemData

Smile

CC[C@H](C1=CC=CC=C1)N(C)CC2=CC(=C(C=C2)SC)OC

DOS

IR

Vibrations