Geometry & MOs

Info

ID:	358029
PubChem CID:	127295565
Reduced:	OSN4C21H30 (1)
Stoich.:	ABC4D21E30 (1)
Weight, g/mol:	388.283826
ΔH_f, kcal/mol:	-15.36
Dipole, Da:	5.27
IP(EA), eV:	-8.88(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-adamantylcarbamoyl)-2-(3-piperidin-1-ylpyrrolidin-1-yl)acetamide

Drug info:

PubChemData

Smile

C1CCC2=C(CC1)SC(=C2C#N)NC(=O)CN3CCC(C3)N4CCCCC4

DOS

IR

Vibrations