Geometry & MOs

Info

ID:	351328
PubChem CID:	127280216
Reduced:	O2N4C23H30 (1)
Stoich.:	A2B4C23D30 (1)
Weight, g/mol:	390.208947
ΔH_f, kcal/mol:	-47.31
Dipole, Da:	2.37
IP(EA), eV:	-8.9(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-N-methyl-2-[4-(2-pyridin-4-ylsulfanylacetyl)piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CN(C1CCCCC1)C(=O)CN2CCN(CC2)C(=O)C3=NC4=CC=CC=C4C=C3

DOS

IR

Vibrations