Geometry & MOs

Info

ID:	21598
PubChem CID:	589118
Reduced:	N2O5C22H30 (1)
Stoich.:	A2B5C22D30 (1)
Weight, g/mol:	402.215472
ΔH_f, kcal/mol:	-209.87
Dipole, Da:	5.36
IP(EA), eV:	-8.47(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-formamido-2-[[4-(3-methylbutyl)-1H-indol-3-yl]methyl]propanedioate

Drug info:

PubChemData

Smile

CCOC(=O)C(CC1=CNC2=CC=CC(=C21)CCC(C)C)(C(=O)OCC)NC=O

DOS

IR

Vibrations