Geometry & MOs

Info

ID:	73839
PubChem CID:	48420663
Reduced:	N3O3C21H25 (1)
Stoich.:	A3B3C21D25 (1)
Weight, g/mol:	386.163043
ΔH_f, kcal/mol:	-78.89
Dipole, Da:	2.63
IP(EA), eV:	-9.48(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[phenyl(pyridin-4-yl)methyl] 1-propanoyl-2,3-dihydroindole-5-carboxylate

Drug info:

PubChemData

Smile

CN(C)C(=O)N1CCCC(C1)C(=O)OC(C2=CC=CC=C2)C3=CC=NC=C3

DOS

IR

Vibrations