Geometry & MOs

Info

ID:	368409
PubChem CID:	127328334
Reduced:	ON3C18H25 (1)
Stoich.:	AB3C18D25 (1)
Weight, g/mol:	370.182733
ΔH_f, kcal/mol:	-21.08
Dipole, Da:	4.63
IP(EA), eV:	-8.27(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]-(1-phenylsulfanylcyclopentyl)methanone

Drug info:

PubChemData

Smile

CC1CCN(CCN1C(=O)C2=CC3=C(N2)C=CC(=C3C)C)C

DOS

IR

Vibrations