Geometry & MOs

Info

ID:	46651
PubChem CID:	10525959
Reduced:	N2O4H24C25 (1)
Stoich.:	A2B4C24D25 (1)
Weight, g/mol:	416.209993
ΔH_f, kcal/mol:	-86.76
Dipole, Da:	6.42
IP(EA), eV:	-9.1(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(Z)-2-(1,3-benzodioxol-5-yl)-2-cyanoethenyl]-4-methylphenyl]-3-cyclohexylpropanamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)/C=C/C(=O)N2C[C@H]3C[C@@]34C2=CC(=O)C5=C4C(=C(N5)C)C(=O)OC

DOS

IR

Vibrations