Geometry & MOs

Info

ID:	70274
PubChem CID:	48409888
Reduced:	O3N4C20H24 (1)
Stoich.:	A3B4C20D24 (1)
Weight, g/mol:	319.225977
ΔH_f, kcal/mol:	-51.33
Dipole, Da:	7.12
IP(EA), eV:	-8.93(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-bicyclo[2.2.1]heptanyl)-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CCOC)C)CNC(=O)C2=NC3=C(C=C2)C=C(C=C3)OC

DOS

IR

Vibrations