Geometry & MOs

Info

ID:	249938
PubChem CID:	103093004
Reduced:	N2C11H18 (1)
Stoich.:	A2B11C18 (1)
Weight, g/mol:	221.123821
ΔH_f, kcal/mol:	21.27
Dipole, Da:	3.21
IP(EA), eV:	-8.08(0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N,3-dimethyl-4-(4-methylsulfanylphenyl)but-3-en-2-amine

Drug info:

PubChemData

Smile

CC(/C(=C/C1=CC=CN1C)/C)NC

DOS

IR

Vibrations