Geometry & MOs

Info

ID:	302162
PubChem CID:	124349745
Reduced:	ON5C24H35 (1)
Stoich.:	AB5C24D35 (1)
Weight, g/mol:	399.232205
ΔH_f, kcal/mol:	-9.29
Dipole, Da:	8.68
IP(EA), eV:	-7.89(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3R)-N-[(4R)-1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-methoxycyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C1=CC=C(C=C1)CN2CCC3=C(C2)NC(=NC3=O)N4CCC[C@H](C4)C

DOS

IR

Vibrations