Geometry & MOs

Info

ID:	67159
PubChem CID:	46505980
Reduced:	O2N3C33H41 (1)
Stoich.:	A2B3C33D41 (1)
Weight, g/mol:	540.346427
ΔH_f, kcal/mol:	-80.91
Dipole, Da:	5.78
IP(EA), eV:	-8.53(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations