Geometry & MOs

Info

ID:	355585
PubChem CID:	127289343
Reduced:	O2N5C18H29 (1)
Stoich.:	A2B5C18D29 (1)
Weight, g/mol:	361.247775
ΔH_f, kcal/mol:	-77.64
Dipole, Da:	5.9
IP(EA), eV:	-8.88(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-3-oxopropyl]cyclohexanecarboxamide

Drug info:

PubChemData

Smile

CN1C=CN=C1CN2CCN(CC2)C(=O)CNC(=O)CC3CCCC3

DOS

IR

Vibrations