Geometry & MOs

Info

ID:	441775
PubChem CID:	135244271
Reduced:	ClFNC7H7 (1)
Stoich.:	ABCD7E7 (1)
Weight, g/mol:	186.117528
ΔH_f, kcal/mol:	-37.21
Dipole, Da:	3.35
IP(EA), eV:	-9.68(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-4-chloro-7,7-dimethylnona-2,5-diene

Drug info:

PubChemData

Smile

CC1=CC(=C(N=C1)CF)Cl

DOS

IR

Vibrations