Geometry & MOs

Info

ID:	176823
PubChem CID:	76102781
Reduced:	NO7C16H19 (1)
Stoich.:	AB7C16D19 (1)
Weight, g/mol:	386.195405
ΔH_f, kcal/mol:	-274.89
Dipole, Da:	6.56
IP(EA), eV:	-8.96(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[1-[(1-amino-6-methoxyisoquinolin-7-yl)methyl]-2-oxopyrrolidin-3-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C1=CC(=CC(=C1)OC)OC)OC(=O)NC2CC(=O)OC2=O

DOS

IR

Vibrations