Geometry & MOs

Info

ID:	445612
PubChem CID:	135268536
Reduced:	N2F3C17H29 (1)
Stoich.:	A2B3C17D29 (1)
Weight, g/mol:	215.03096
ΔH_f, kcal/mol:	-160.06
Dipole, Da:	4.94
IP(EA), eV:	-8.62(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromocyclohexa-2,4-dien-1-yl)-N,N-dimethylmethanamine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations