Geometry & MOs

Info

ID:	200705
PubChem CID:	79430576
Reduced:	BrClNC18H19 (1)
Stoich.:	ABCD18E19 (1)
Weight, g/mol:	301.186421
ΔH_f, kcal/mol:	50.24
Dipole, Da:	2.71
IP(EA), eV:	-9.21(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methylphenyl)-N-(2-methylpropyl)-4-thiophen-3-ylbutan-1-amine

Drug info:

PubChemData

Smile

C1CC1NCC(CC2=CC=C(C=C2)Cl)C3=CC(=CC=C3)Br

DOS

IR

Vibrations