Geometry & MOs

Info

ID:	334211
PubChem CID:	127252763
Reduced:	N5O6C31H33 (1)
Stoich.:	A5B6C31D33 (1)
Weight, g/mol:	404.118378
ΔH_f, kcal/mol:	-131.22
Dipole, Da:	5.13
IP(EA), eV:	-8.61(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-difluoro-N-[(4-methoxy-6-methyl-5-oxo-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-9-yl)methyl]benzamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC2=C(C=C1)N=CN2)NC3=CC=C4C(=CC3=O)[C@H](CCC5=CC(=C(C(=C54)OC)OC)OC)NC(=O)C

DOS

IR

Vibrations