Geometry & MOs

Info

ID:	250028
PubChem CID:	103093693
Reduced:	ClNC14H20 (1)
Stoich.:	ABC14D20 (1)
Weight, g/mol:	281.07791
ΔH_f, kcal/mol:	0.28
Dipole, Da:	2.68
IP(EA), eV:	-9.05(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations