Geometry & MOs

Info

ID:	181793
PubChem CID:	76793085
Reduced:	N2O2H14C17 (1)
Stoich.:	A2B2C14D17 (1)
Weight, g/mol:	337.106256
ΔH_f, kcal/mol:	29.42
Dipole, Da:	5.69
IP(EA), eV:	-8.69(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

amino 3-[1-[(4-nitrophenyl)methyl]indol-5-yl]prop-2-enoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C=CC3=C2C=CC(=C3)C=CC(=O)ON

DOS

IR

Vibrations