Geometry & MOs

Info

ID:	25051
PubChem CID:	617815
Reduced:	O2N3H11C13 (1)
Stoich.:	A2B3C11D13 (1)
Weight, g/mol:	241.085127
ΔH_f, kcal/mol:	-10.14
Dipole, Da:	6.38
IP(EA), eV:	-9.16(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-amino-2-cyano-3-(1H-indol-3-yl)prop-2-enoate

Drug info:

PubChemData

Smile

COC(=O)C(=C(C1=CNC2=CC=CC=C21)N)C#N

DOS

IR

Vibrations