Geometry & MOs

Info

ID:	444544
PubChem CID:	135262793
Reduced:	N2O3C30H32 (1)
Stoich.:	A2B3C30D32 (1)
Weight, g/mol:	262.120509
ΔH_f, kcal/mol:	-40.9
Dipole, Da:	1.66
IP(EA), eV:	-8.47(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(2,2-dimethyl-4H-1,3-benzodioxin-7-yl)cyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(C2=CC=C(O2)C)NC(=O)C3(CC3)C4=CC5=C(C=C4)N(CC5)C(=O)C6CC6)C

DOS

IR

Vibrations