Geometry & MOs

Info

ID:	383088
PubChem CID:	134974610
Reduced:	INO2H22C24 (1)
Stoich.:	ABC2D22E24 (1)
Weight, g/mol:	410.174276
ΔH_f, kcal/mol:	15.47
Dipole, Da:	1.3
IP(EA), eV:	-8.11(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl (2R)-3-(1H-indol-3-yl)-2-(1H-pyrrolo[2,3-b]pyridin-6-ylamino)propanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C3=C(C=CC(=C3)OCC4=CC=CC=C4)C(=C2O)CCI

DOS

IR

Vibrations