Geometry & MOs

Info

ID:	431461
PubChem CID:	135171542
Reduced:	OH12C15 (1)
Stoich.:	AB12C15 (1)
Weight, g/mol:	299.228286
ΔH_f, kcal/mol:	5.49
Dipole, Da:	4.07
IP(EA), eV:	-8.93(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(E)-2,6,6-trimethylundec-3-en-2-yl]sulfanylpropanamide

Drug info:

PubChemData

Smile

CC1=C(C(=O)C2=CC=CC3=C2C1=CC=C3)C

DOS

IR

Vibrations