Geometry & MOs

Info

ID:	377683
PubChem CID:	134223747
Reduced:	OSN2H28C48 (1)
Stoich.:	ABC2D28E48 (1)
Weight, g/mol:	311.282429
ΔH_f, kcal/mol:	189.69
Dipole, Da:	2.46
IP(EA), eV:	-7.97(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1,5,5-trimethyl-2-propan-2-yl-N-(3-propan-2-yloxypropyl)cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC5=C(C=C4)N(C6=C5C=C7C8=CC=CC=C8SC7=C6)C9=CC=CC=C9)C1=C2C=C2C3=CC=CC=C3OC2=C1

DOS

IR

Vibrations