Geometry & MOs

Info

ID:	250029
PubChem CID:	103093697
Reduced:	BrNC14H20 (1)
Stoich.:	ABC14D20 (1)
Weight, g/mol:	233.177964
ΔH_f, kcal/mol:	12.43
Dipole, Da:	3.29
IP(EA), eV:	-9.07(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(4-methoxyphenyl)-3-methyl-N-propylbut-3-en-2-amine

Drug info:

PubChemData

Smile

CCCNC(C)/C(=C/C1=CC=C(C=C1)Br)/C

DOS

IR

Vibrations