Geometry & MOs

Info

ID:	127470
PubChem CID:	51003338
Reduced:	O2N4C21H24 (1)
Stoich.:	A2B4C21D24 (1)
Weight, g/mol:	400.117155
ΔH_f, kcal/mol:	-11.15
Dipole, Da:	4.92
IP(EA), eV:	-8.48(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[(4-cyanophenyl)methyl]-3-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]indole-6-carboxylate

Drug info:

PubChemData

Smile

CCN1C(C(CC2=C1N(C3=CC=CC=C23)C(=O)OC(C)(C)C)(C#N)C#N)C

DOS

IR

Vibrations