Geometry & MOs

Info

ID:	67155
PubChem CID:	46505967
Reduced:	O2N3C32H51 (1)
Stoich.:	A2B3C32D51 (1)
Weight, g/mol:	412.272593
ΔH_f, kcal/mol:	-143.15
Dipole, Da:	7.13
IP(EA), eV:	-8.67(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CN(CCNC(=O)C(C(C)C)NC(=O)C1=CC=C(C=C1)C23CC4CC(C2)CC(C4)C3)CC(C)C

DOS

IR

Vibrations