Geometry & MOs

Info

ID:	193982
PubChem CID:	78463820
Reduced:	NO4C23H23 (1)
Stoich.:	AB4C23D23 (1)
Weight, g/mol:	409.135031
ΔH_f, kcal/mol:	-116.58
Dipole, Da:	3.6
IP(EA), eV:	-8.62(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5,7,7-tricyano-8-(2,4-difluorophenyl)-6-imino-3,5,8,8a-tetrahydro-1H-isoquinoline-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2N1)C(=O)C(C)OC(=O)COC3=CC4=C(CCC4)C=C3

DOS

IR

Vibrations