Geometry & MOs

Info

ID:	438330
PubChem CID:	135228063
Reduced:	SN2O2C18H20 (1)
Stoich.:	AB2C2D18E20 (1)
Weight, g/mol:	275.144077
ΔH_f, kcal/mol:	-22.81
Dipole, Da:	5.21
IP(EA), eV:	-8.19(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z,4Z)-2-butan-2-yl-3-chloro-1-phenylhepta-2,4,6-trien-1-amine

Drug info:

PubChemData

Smile

CCC1C(N2C=CC=CC2=N1)C(=O)C3=C(C=C(C=C3)O)SCC

DOS

IR

Vibrations