Geometry & MOs

Info

ID:	371546
PubChem CID:	127347087
Reduced:	ON2C10H12 (2)
Stoich.:	AB2C10D12 (2)
Weight, g/mol:	388.283826
ΔH_f, kcal/mol:	-10.91
Dipole, Da:	8.33
IP(EA), eV:	-8.96(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-adamantylcarbamoyl)-2-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]acetamide

Drug info:

PubChemData

Smile

C1CCN(C1)CC2CCN(C2)CC3=NC(=O)C4=C(N3)C5=CC=CC=C5O4

DOS

IR

Vibrations