Geometry & MOs

Info

ID:	175581
PubChem CID:	75924667
Reduced:	N2O3C21H24 (1)
Stoich.:	A2B3C21D24 (1)
Weight, g/mol:	432.14124
ΔH_f, kcal/mol:	-103.5
Dipole, Da:	4.73
IP(EA), eV:	-8.85(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-3-[[2-(3-bromo-1-adamantyl)acetyl]amino]propanamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CCC2CCCO2)C(=O)NC3=CC=CC=C3

DOS

IR

Vibrations