Geometry & MOs

Info

ID:	448261
PubChem CID:	135289696
Reduced:	BrN6C20H23 (1)
Stoich.:	AB6C20D23 (1)
Weight, g/mol:	411.40763
ΔH_f, kcal/mol:	84.66
Dipole, Da:	2.75
IP(EA), eV:	-8.81(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-octadec-9-enoate;octylazanium

Drug info:

PubChemData

Smile

CC1=CN=C(N=C1C2=CN=C3N2C=C(C=C3)Br)N4CCC5(CCNC5)CC4

DOS

IR

Vibrations