Geometry & MOs

Info

ID:	335072
PubChem CID:	127253878
Reduced:	NO8H23C30 (1)
Stoich.:	AB8C23D30 (1)
Weight, g/mol:	374.184172
ΔH_f, kcal/mol:	-214.98
Dipole, Da:	9.72
IP(EA), eV:	-8.6(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C=C(C(=O)N2)C3CC(=O)OC4=C3C5=C(C=C4)C(=O)/C(=C/C6=C(C=C(C=C6)OC)OC)/O5

DOS

IR

Vibrations