Geometry & MOs

Info

ID:	410940
PubChem CID:	135083743
Reduced:	O3C14H16 (1)
Stoich.:	A3B14C16 (1)
Weight, g/mol:	218.105528
ΔH_f, kcal/mol:	-95.42
Dipole, Da:	1.16
IP(EA), eV:	-9.63(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1E)-N-(3,4-dihydroisoquinolin-2-ium-2-yl)-1-ethoxymethanimidate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C(=O)/C=C/C1=CC=CC=C1

DOS

IR

Vibrations