Geometry & MOs

Info

ID:	355631
PubChem CID:	127289389
Reduced:	ON6C20H26 (1)
Stoich.:	AB6C20D26 (1)
Weight, g/mol:	388.258674
ΔH_f, kcal/mol:	40.81
Dipole, Da:	4.24
IP(EA), eV:	-8.38(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methanone

Drug info:

PubChemData

Smile

CC1=NN(CC1)C2=CC=C(C=C2)C(=O)N3CCN(CC3)CC4=NC=CN4C

DOS

IR

Vibrations