Geometry & MOs

Info

ID:	365181
PubChem CID:	127316998
Reduced:	ON5C21H35 (1)
Stoich.:	AB5C21D35 (1)
Weight, g/mol:	374.243024
ΔH_f, kcal/mol:	-33.63
Dipole, Da:	4.25
IP(EA), eV:	-8.66(0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(C1CC2CCC1C2)NC(=O)C(C)N3CCN(CC3)CC4=NC=CN4C

DOS

IR

Vibrations