Geometry & MOs

Info

ID:	344155
PubChem CID:	127267331
Reduced:	N3O4C18H25 (1)
Stoich.:	A3B4C18D25 (1)
Weight, g/mol:	297.147727
ΔH_f, kcal/mol:	-101.96
Dipole, Da:	1.58
IP(EA), eV:	-9.76(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(cyclopropylamino)-2-oxoethyl]-2-isoquinolin-4-yl-N-methylacetamide

Drug info:

PubChemData

Smile

CC1=CC(=NO1)CNC(=O)C#CC2CCCN(C2)C(=O)OC(C)(C)C

DOS

IR

Vibrations