Geometry & MOs

Info

ID:	67160
PubChem CID:	46505981
Reduced:	ON2C17H22 (2)
Stoich.:	AB2C17D22 (2)
Weight, g/mol:	458.293328
ΔH_f, kcal/mol:	-70.57
Dipole, Da:	3.78
IP(EA), eV:	-8.31(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-adamantyl)-N-[1-[benzyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]benzamide

Drug info:

PubChemData

Smile

CCN(CC)CCNC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C3=CC=C(C=C3)C45CC6CC(C4)CC(C6)C5

DOS

IR

Vibrations