Geometry & MOs

Info

ID:	357679
PubChem CID:	127294353
Reduced:	OSN7C16H21 (1)
Stoich.:	ABC7D16E21 (1)
Weight, g/mol:	371.268511
ΔH_f, kcal/mol:	64.85
Dipole, Da:	6.53
IP(EA), eV:	-8.79(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-adamantyl)-2-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=O)N2C(=N1)SC(=N2)CN3CCN(CC3)CC4=CN(N=C4)C

DOS

IR

Vibrations