Geometry & MOs

Info

ID:	334410
PubChem CID:	127252962
Reduced:	N2C17H26 (1)
Stoich.:	A2B17C26 (1)
Weight, g/mol:	374.093643
ΔH_f, kcal/mol:	6.94
Dipole, Da:	2.12
IP(EA), eV:	-8.56(0.43)
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]thiophene-3-carboxamide

Drug info:

PubChemData

Smile

C1CCN2CCC[C@H]([C@H]2C1)CNCC3=CC=CC=C3

DOS

IR

Vibrations