Geometry & MOs

Info

ID:	133289
PubChem CID:	51504564
Reduced:	ClN3O3C15H17 (1)
Stoich.:	AB3C3D15E17 (1)
Weight, g/mol:	350.186852
ΔH_f, kcal/mol:	-96.37
Dipole, Da:	5.79
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.788919
Charge, e:	1

Chem-info

IUPAC name:

[1-(2-amino-2-oxoethyl)indol-3-yl]methyl-[1-(4-methoxyphenyl)cyclopropyl]azanium

Drug info:

PubChemData

Smile

CC1=CC(=O)N2C=C(N=C2N1CC(=O)[O-])C3CCC(CC3)Cl

DOS

IR

Vibrations