Geometry & MOs

Info

ID:	364791
PubChem CID:	127316129
Reduced:	ClON4C20H25 (1)
Stoich.:	ABC4D20E25 (1)
Weight, g/mol:	358.24811
ΔH_f, kcal/mol:	-7.53
Dipole, Da:	3.06
IP(EA), eV:	-9.07(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-1-[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CCC(C1)(C2=CC=C(C=C2)Cl)C(=O)N3CCN(CC3)CC4=NC=CN4

DOS

IR

Vibrations