Geometry & MOs

Info

ID:	67168
PubChem CID:	46505996
Reduced:	N3O4C30H45 (1)
Stoich.:	A3B4C30D45 (1)
Weight, g/mol:	513.299142
ΔH_f, kcal/mol:	-207.95
Dipole, Da:	5.29
IP(EA), eV:	-8.64(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCCC1CCC(CC1)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NC(C(C)C)C(=O)OC

DOS

IR

Vibrations