Geometry & MOs

Info

ID:	243542
PubChem CID:	99226701
Reduced:	ON6C22H28 (1)
Stoich.:	AB6C22D28 (1)
Weight, g/mol:	415.153206
ΔH_f, kcal/mol:	32.34
Dipole, Da:	6.06
IP(EA), eV:	-8.54(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]-5-methoxy-2-nitrobenzamide

Drug info:

PubChemData

Smile

CN(C)CCN1C=C(C2=CC=CC=C21)C(=O)N[C@H]3CCCN(C3)C4=NC=CC=N4

DOS

IR

Vibrations