Geometry & MOs

Info

ID:	70256
PubChem CID:	48409763
Reduced:	FO3N4C21H25 (1)
Stoich.:	AB3C4D21E25 (1)
Weight, g/mol:	375.252192
ΔH_f, kcal/mol:	-103.24
Dipole, Da:	3.84
IP(EA), eV:	-9.14(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-hydroxy-1-adamantyl)-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CCOC)C)CNC(=O)CCC2=NC=C(O2)C3=CC=C(C=C3)F

DOS

IR

Vibrations