Geometry & MOs

Info

ID:	415157
PubChem CID:	135088148
Reduced:	NO2F4C18H23 (1)
Stoich.:	AB2C4D18E23 (1)
Weight, g/mol:	315.134969
ΔH_f, kcal/mol:	-303.94
Dipole, Da:	3.31
IP(EA), eV:	-9.09(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3R,4S)-N-[3-(4-chloropyrazol-1-yl)propyl]-4-hydroxy-3-methoxycyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC1(CCOC2(C1)CCN(CC2)CC3=C(C=C(C=C3)C(F)(F)F)F)O

DOS

IR

Vibrations