Geometry & MOs

Info

ID:	333979
PubChem CID:	127252531
Reduced:	N3O4C23H25 (1)
Stoich.:	A3B4C23D25 (1)
Weight, g/mol:	403.093498
ΔH_f, kcal/mol:	-109.32
Dipole, Da:	5.0
IP(EA), eV:	-8.16(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-N-[(4-methoxy-6-methyl-5-oxo-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-9-yl)methyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)NC3=C2CCCC3NC(=O)NC4=CC5=C(C=C4)OCCCO5

DOS

IR

Vibrations