Geometry & MOs

Info

ID:	365350
PubChem CID:	127317749
Reduced:	N3O3C21H29 (1)
Stoich.:	A3B3C21D29 (1)
Weight, g/mol:	395.184506
ΔH_f, kcal/mol:	-102.93
Dipole, Da:	2.73
IP(EA), eV:	-8.23(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-methyl-5-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylcarbamoylamino)phenyl]acetamide

Drug info:

PubChemData

Smile

C1CCC2(CC1)OC3=C(O2)C=C(C=C3)NC(=O)N4CCN(CC4)C5CCC5

DOS

IR

Vibrations