Geometry & MOs

Info

ID:	355892
PubChem CID:	127290744
Reduced:	ON2C10H11 (2)
Stoich.:	AB2C10D11 (2)
Weight, g/mol:	347.232125
ΔH_f, kcal/mol:	-15.89
Dipole, Da:	5.34
IP(EA), eV:	-8.76(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]cyclohexanecarboxamide

Drug info:

PubChemData

Smile

CN1C=CN=C1CN2CCN(CC2)C(=O)C3=C(C4=CC=CC=C4C=C3)O

DOS

IR

Vibrations