Geometry & MOs

Info

ID:	320454
PubChem CID:	126661172
Reduced:	NC11H23 (1)
Stoich.:	AB11C23 (1)
Weight, g/mol:	252.089263
ΔH_f, kcal/mol:	-33.56
Dipole, Da:	1.36
IP(EA), eV:	-7.88(1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E,5Z)-4-chloro-3-methyl-5-propan-2-yl-2-(trifluoromethyl)hepta-1,3,5-triene

Drug info:

PubChemData

Smile

CC(C)C(C)C/C(=C(\C)/NC)/C

DOS

IR

Vibrations