Geometry & MOs

Info

ID:	419757
PubChem CID:	135108973
Reduced:	FN3O3C16H20 (1)
Stoich.:	AB3C3D16E20 (1)
Weight, g/mol:	389.24269
ΔH_f, kcal/mol:	-96.93
Dipole, Da:	3.06
IP(EA), eV:	-9.06(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3R,4S)-4-hydroxy-3-methoxy-N-[3-(5-methyltetrazol-2-yl)-1-adamantyl]cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)C1=C(ON=C1N(C)C)C2=CC(=C(C=C2)F)OC

DOS

IR

Vibrations