Geometry & MOs

Info

ID:	312016
PubChem CID:	126601251
Reduced:	O2C19H34 (1)
Stoich.:	A2B19C34 (1)
Weight, g/mol:	414.157957
ΔH_f, kcal/mol:	-158.22
Dipole, Da:	4.86
IP(EA), eV:	-10.35(0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-(1-methoxy-1-oxo-3-phenylpropan-2-yl)indazole-7-carboxylate

Drug info:

PubChemData

Smile

CCCCC1CCC2C1CCC(C2)CCCCCC(=O)O

DOS

IR

Vibrations