Geometry & MOs

Info

ID:	393318
PubChem CID:	135020092
Reduced:	N3O4C16H23 (1)
Stoich.:	A3B4C16D23 (1)
Weight, g/mol:	321.168856
ΔH_f, kcal/mol:	-110.79
Dipole, Da:	5.47
IP(EA), eV:	-8.92(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl N-(ethoxycarbonylamino)-N-(2-methanidyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)carbamate

Drug info:

PubChemData

Smile

CCO/C(=N/N(C(=O)OCC)[N+]1(CCC2=CC=CC=C2C1)C)/[O-]

DOS

IR

Vibrations