Geometry & MOs

Info

ID:	444889
PubChem CID:	135263877
Reduced:	NO4C29H31 (1)
Stoich.:	AB4C29D31 (1)
Weight, g/mol:	438.194343
ΔH_f, kcal/mol:	-133.07
Dipole, Da:	9.61
IP(EA), eV:	-9.11(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(2-benzoyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(4-cyano-2-methylphenyl)propanoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCC3=C(C2)C=C(C=C3)C(CC(=O)O)C4=C(C=C(C=C4)OC)C)C

DOS

IR

Vibrations