Geometry & MOs

Info

ID:	49276
PubChem CID:	11532588
Reduced:	N4O4C25H34 (1)
Stoich.:	A4B4C25D34 (1)
Weight, g/mol:	454.236876
ΔH_f, kcal/mol:	-158.27
Dipole, Da:	1.31
IP(EA), eV:	-9.64(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-aminophenyl)-1-[2-hydroxyethyl-[2-(1H-indol-3-yl)ethyl]amino]-2,3-dihydro-1H-indene-5-carboxamide

Drug info:

PubChemData

Smile

CCCC(C(=O)NCC1=CC=CC=N1)NC(=O)C(CC(C)C)NC(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations