Geometry & MOs

Info

ID:	351290
PubChem CID:	127280178
Reduced:	O3N5C19H31 (1)
Stoich.:	A3B5C19D31 (1)
Weight, g/mol:	383.232125
ΔH_f, kcal/mol:	-93.61
Dipole, Da:	7.58
IP(EA), eV:	-9.06(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-2-[4-(1H-indazole-7-carbonyl)piperazin-1-yl]-N-methylacetamide

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CCC(=O)N2CCN(CC2)CC(=O)N(C)C3CCCCC3

DOS

IR

Vibrations