Geometry & MOs

Info

ID:	67165
PubChem CID:	46505992
Reduced:	O2N3C31H47 (1)
Stoich.:	A2B3C31D47 (1)
Weight, g/mol:	478.355929
ΔH_f, kcal/mol:	-134.85
Dipole, Da:	4.78
IP(EA), eV:	-8.68(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-adamantyl)-N-[1-[(2,3-dimethylcyclohexyl)amino]-4-methyl-1-oxopentan-2-yl]benzamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)CCNC(=O)C(CC(C)C)NC(=O)C2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4

DOS

IR

Vibrations