Geometry & MOs

Info

ID:	197050
PubChem CID:	78914135
Reduced:	N2O3C11H18 (1)
Stoich.:	A2B3C11D18 (1)
Weight, g/mol:	284.163711
ΔH_f, kcal/mol:	-102.62
Dipole, Da:	4.53
IP(EA), eV:	-9.39(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-adamantyl)-N-(4-cyano-1H-pyrazol-5-yl)acetamide

Drug info:

PubChemData

Smile

CC(C1=CC=CO1)NC(=O)CNCCOC

DOS

IR

Vibrations