Geometry & MOs

Info

ID:	139497
PubChem CID:	52542788
Reduced:	ON2C13H17 (2)
Stoich.:	AB2C13D17 (2)
Weight, g/mol:	437.304228
ΔH_f, kcal/mol:	-25.67
Dipole, Da:	4.52
IP(EA), eV:	-8.72(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-N-(2-propan-2-ylphenyl)propanamide

Drug info:

PubChemData

Smile

C1CN(CCN1CCCC2=NC(=NO2)C3=CC=CC=C3)C(=O)C45CC6CC(C4)CC(C6)C5

DOS

IR

Vibrations