Geometry & MOs

Info

ID:	321835
PubChem CID:	126667057
Reduced:	O2F3N7C20H20 (1)
Stoich.:	A2B3C7D20E20 (1)
Weight, g/mol:	203.1674
ΔH_f, kcal/mol:	-122.3
Dipole, Da:	6.12
IP(EA), eV:	-9.16(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-ethenyl-N,N,3-trimethyl-3-prop-1-en-2-ylcyclohexa-1,5-dien-1-amine

Drug info:

PubChemData

Smile

C1[C@@H](C[C@@H]([C@H]1NC2=NC=NC3=NNC(=C32)C(=O)N4C[C@H](C[C@@H]4C5=CC(=CN=C5)F)F)O)F

DOS

IR

Vibrations