Geometry & MOs

Info

ID:	357517
PubChem CID:	127294150
Reduced:	O2N5C21H29 (1)
Stoich.:	A2B5C21D29 (1)
Weight, g/mol:	397.247775
ΔH_f, kcal/mol:	-43.35
Dipole, Da:	3.93
IP(EA), eV:	-8.9(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-2-[4-(2-indazol-1-ylacetyl)piperazin-1-yl]-N-methylacetamide

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)CN2CCN(CC2)C(=O)CN3C4=CC=CC=C4C=N3

DOS

IR

Vibrations