Geometry & MOs

Info

ID:	67158
PubChem CID:	46505977
Reduced:	O2N4C31H48 (1)
Stoich.:	A2B4C31D48 (1)
Weight, g/mol:	511.319878
ΔH_f, kcal/mol:	-117.71
Dipole, Da:	2.44
IP(EA), eV:	-8.56(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-adamantyl)-N-[3-(1H-indol-3-yl)-1-(3-methylbutylamino)-1-oxopropan-2-yl]benzamide

Drug info:

PubChemData

Smile

CCN1CCN(CC1)CCCNC(=O)C(C(C)C)NC(=O)C2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4

DOS

IR

Vibrations