Geometry & MOs

Info

ID:	364747
PubChem CID:	127316053
Reduced:	ON3C9H12 (2)
Stoich.:	AB3C9D12 (2)
Weight, g/mol:	373.247775
ΔH_f, kcal/mol:	-11.26
Dipole, Da:	4.09
IP(EA), eV:	-8.89(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[4-(1H-imidazol-2-ylmethyl)piperazine-1-carbonyl]cyclohexyl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=NC=CN2)C(=O)C3=C(N=CC=C3)N4CCOCC4

DOS

IR

Vibrations