Geometry & MOs

Info

ID:	181792
PubChem CID:	76792937
Reduced:	ON3C20H27 (1)
Stoich.:	AB3C20D27 (1)
Weight, g/mol:	278.105528
ΔH_f, kcal/mol:	-21.76
Dipole, Da:	6.4
IP(EA), eV:	-8.26(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

amino 3-(1-phenylindol-5-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1CN(C2CC3=CNC4=C3C(=CCC4)C2=C1)C

DOS

IR

Vibrations