Geometry & MOs

Info

ID:	335696
PubChem CID:	127254558
Reduced:	Cl2N4O5H26C30 (1)
Stoich.:	A2B4C5D26E30 (1)
Weight, g/mol:	390.230728
ΔH_f, kcal/mol:	-140.35
Dipole, Da:	8.72
IP(EA), eV:	-8.7(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-phenyl-N-[2-(1-propan-2-ylindol-3-yl)ethyl]oxane-4-carboxamide

Drug info:

PubChemData

Smile

COC(=O)C1=C(C2=C(N1)C=CC(=C2)Cl)NC(=O)CN3CCC4=CC=CC=C4C3CN5C(=O)C6=CC=CC=C6C5=O.Cl

DOS

IR

Vibrations