Geometry & MOs

Info

ID:	350672
PubChem CID:	127278960
Reduced:	O2N5C18H29 (1)
Stoich.:	A2B5C18D29 (1)
Weight, g/mol:	397.247775
ΔH_f, kcal/mol:	-68.17
Dipole, Da:	3.69
IP(EA), eV:	-9.18(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-(2H-indazol-3-yl)acetyl]piperazin-1-yl]-N-(4-methylcyclohexyl)acetamide

Drug info:

PubChemData

Smile

CC1CCC(CC1)NC(=O)CN2CCN(CC2)C(=O)C3=CC=NN3C

DOS

IR

Vibrations