Geometry & MOs

Info

ID:	23669
PubChem CID:	605358
Reduced:	NO4C23H27 (1)
Stoich.:	AB4C23D27 (1)
Weight, g/mol:	381.194008
ΔH_f, kcal/mol:	-145.86
Dipole, Da:	2.61
IP(EA), eV:	-9.22(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[2,2-dimethylpropanoyloxy(phenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)OC(C1C2=CC=CC=C2CC(N1)C(=O)OC)C3=CC=CC=C3

DOS

IR

Vibrations