Geometry & MOs

Info

ID:	359817
PubChem CID:	127299861
Reduced:	N6C19H24 (1)
Stoich.:	A6B19C24 (1)
Weight, g/mol:	336.195011
ΔH_f, kcal/mol:	65.6
Dipole, Da:	4.79
IP(EA), eV:	-8.6(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-adamantyl)-2-(5-pyridin-4-ylpyrazol-1-yl)acetamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C2=NC=NC(=C2)NCC3=CN4C(=CC=CC4=N3)C

DOS

IR

Vibrations