Geometry & MOs

Info

ID:	427558
PubChem CID:	135159861
Reduced:	S2F3O4N5C22H24 (1)
Stoich.:	A2B3C4D5E22F24 (1)
Weight, g/mol:	139.1361
ΔH_f, kcal/mol:	-216.25
Dipole, Da:	5.21
IP(EA), eV:	-9.17(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1Z,3Z)-N,2-dimethylhepta-1,3-dien-1-amine

Drug info:

PubChemData

Smile

CC(C)NS(=O)(=O)N[C@H]1CC2=C([C@@H](N=C(N2C1)C3=NC=CCS3)C4=C(C(=C(C=C4)F)F)F)C(=O)OC

DOS

IR

Vibrations