Geometry & MOs

Info

ID:	442948
PubChem CID:	135257015
Reduced:	NO4H28C36 (2)
Stoich.:	AB4C28D36 (2)
Weight, g/mol:	280.121178
ΔH_f, kcal/mol:	-69.27
Dipole, Da:	4.66
IP(EA), eV:	-8.52(-2.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(ethoxymethyl)indol-2-yl]-pyridin-4-ylmethanone

Drug info:

Smile

CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)C2=CC3=C4C5=C(C=C6C7=C5C8=C(C=C7C(=O)N(C6=O)C9=C(C=CC=C9C(C)C)C(C)C)OC1=CC=CC=C1C1=CC=CC=C1OC1=C8C4=C2C(=C1)C=O)OC1=CC=CC=C1C1=CC=CC=C1O3

DOS

IR

Vibrations