Geometry & MOs

Info

ID:	346425
PubChem CID:	127270929
Reduced:	N3O3C14H17 (1)
Stoich.:	A3B3C14D17 (1)
Weight, g/mol:	382.236876
ΔH_f, kcal/mol:	-78.17
Dipole, Da:	6.29
IP(EA), eV:	-8.83(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclohexyl-1-[4-(5-methyl-1H-indazole-7-carbonyl)piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C1)C(=O)NCC3COCCO3)NN=C2

DOS

IR

Vibrations