Geometry & MOs

Info

ID:	392181
PubChem CID:	135013555
Reduced:	NO3H17C18 (1)
Stoich.:	AB3C17D18 (1)
Weight, g/mol:	295.120843
ΔH_f, kcal/mol:	-56.15
Dipole, Da:	2.63
IP(EA), eV:	-9.47(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-benzyl-1-hydroxy-4H-isoquinoline-3-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C(=NC(=O)CC1=CC=CC=C1)CC2=CC=CC=C2

DOS

IR

Vibrations