Geometry & MOs

Info

ID:	179050
PubChem CID:	76427083
Reduced:	ClON3H14C15 (1)
Stoich.:	ABC3D14E15 (1)
Weight, g/mol:	373.152537
ΔH_f, kcal/mol:	18.5
Dipole, Da:	3.09
IP(EA), eV:	-8.57(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethoxycarbonyl-1-phenylmethoxycarbonyl-2,3,3a,4,5,7a-hexahydroindole-2-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(CO)NC2=NC3=C(C=CN3)C(=C2)Cl

DOS

IR

Vibrations