Geometry & MOs

Info

ID:	249996
PubChem CID:	103093385
Reduced:	NS2C15H19 (1)
Stoich.:	AB2C15D19 (1)
Weight, g/mol:	249.172879
ΔH_f, kcal/mol:	47.42
Dipole, Da:	2.5
IP(EA), eV:	-8.52(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(2,4-dimethoxyphenyl)-N-ethyl-3-methylbut-3-en-2-amine

Drug info:

PubChemData

Smile

CCNC(C)/C(=C/C1=CC(=CS1)C2=CC=CS2)/C

DOS

IR

Vibrations