Geometry & MOs

Info

ID:	420652
PubChem CID:	135114585
Reduced:	F2O2N4C21H26 (1)
Stoich.:	A2B2C4D21E26 (1)
Weight, g/mol:	253.142641
ΔH_f, kcal/mol:	-55.98
Dipole, Da:	5.24
IP(EA), eV:	-8.81(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3R,4S)-4-hydroxy-N-(1H-imidazol-2-ylmethyl)-3-methoxycyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)N1C=CC(=N1)C(=O)N2C[C@H]3CN([C@@H](C2)COC3)CC4=C(C=C(C=C4)F)F

DOS

IR

Vibrations