Geometry & MOs

Info

ID:	392183
PubChem CID:	135013557
Reduced:	NO6H19C21 (1)
Stoich.:	AB6C19D21 (1)
Weight, g/mol:	399.131802
ΔH_f, kcal/mol:	-152.86
Dipole, Da:	3.62
IP(EA), eV:	-8.76(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 7-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]-3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-triene-7-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)C=C(N=C2CC3=CC4=C(C=C3)OCO4)C(=O)OC)OC

DOS

IR

Vibrations