Geometry & MOs

Info

ID:	190744
PubChem CID:	78050611
Reduced:	NO3C20H34 (2)
Stoich.:	AB3C20D34 (2)
Weight, g/mol:	219.162314
ΔH_f, kcal/mol:	-274.38
Dipole, Da:	2.86
IP(EA), eV:	-8.74(1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,3,4-trimethyl-2-(2-methylcyclopropyl)cyclohexa-1,5-diene-1-carboxamide

Drug info:

PubChemData

Smile

CCOC(C1CC(C2C(O1)C(C3(C2(CCC45C3CCC6C4(C5)CCC(C6(C)C)OC7CN(CCO7)CC8CNC8)C)C)O)C)C(C)(C)O

DOS

IR

Vibrations