Geometry & MOs

Info

ID:	72478
PubChem CID:	48416219
Reduced:	N2O7C21H24 (1)
Stoich.:	A2B7C21D24 (1)
Weight, g/mol:	408.204907
ΔH_f, kcal/mol:	-180.56
Dipole, Da:	3.67
IP(EA), eV:	-8.72(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(4-ethoxyphenyl)methyl]-3-[3-(1H-indol-3-yl)propanoylamino]propanoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(CNC(=O)COC2=CC=CC=C2[N+](=O)[O-])C(=O)OC

DOS

IR

Vibrations