Geometry & MOs

Info

ID:	175455
PubChem CID:	75907574
Reduced:	Cl2N3O4H17C18 (1)
Stoich.:	A2B3C4D17E18 (1)
Weight, g/mol:	329.081871
ΔH_f, kcal/mol:	-68.5
Dipole, Da:	9.99
IP(EA), eV:	-9.41(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(2-chlorobenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC1=CC(=C(C=C1)Cl)[N+](=O)[O-])NC(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations