Geometry & MOs

Info

ID:	363098
PubChem CID:	127310129
Reduced:	NOC5H7 (4)
Stoich.:	ABC5D7 (4)
Weight, g/mol:	352.153541
ΔH_f, kcal/mol:	-148.32
Dipole, Da:	8.14
IP(EA), eV:	-9.03(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[(4-methylpyrazol-1-yl)methyl]morpholine-4-carbonyl]-2H-isoquinolin-1-one

Drug info:

PubChemData

Smile

CC1=CN(N=C1)CC2CN(CCO2)C(=O)CCN3C(=O)C4CCCCC4C3=O

DOS

IR

Vibrations