Geometry & MOs

Info

ID:	182289
PubChem CID:	76871629
Reduced:	N3O4C18H21 (1)
Stoich.:	A3B4C18D21 (1)
Weight, g/mol:	351.158292
ΔH_f, kcal/mol:	-10.01
Dipole, Da:	4.91
IP(EA), eV:	-8.95(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-3-(2-nitrophenyl)prop-2-enamide

Drug info:

PubChemData

Smile

COC(=O)C=CC1=CC(=C(C=C1)N2CCN(CC2)CCC#C)[N+](=O)[O-]

DOS

IR

Vibrations