Geometry & MOs

Info

ID:	358848
PubChem CID:	127296719
Reduced:	N2O4C21H30 (1)
Stoich.:	A2B4C21D30 (1)
Weight, g/mol:	388.236208
ΔH_f, kcal/mol:	-168.78
Dipole, Da:	3.55
IP(EA), eV:	-8.22(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-propoxy-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylazepane-1-carboxamide

Drug info:

PubChemData

Smile

CCCOC1CCCN(CC1)C(=O)NC2=CC3=C(C=C2)OC4(O3)CCCC4

DOS

IR

Vibrations