Geometry & MOs

Info

ID:	250012
PubChem CID:	103093510
Reduced:	N3C16H29 (1)
Stoich.:	A3B16C29 (1)
Weight, g/mol:	405.01259
ΔH_f, kcal/mol:	4.61
Dipole, Da:	1.91
IP(EA), eV:	-8.65(0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(3,5-dibromo-4-ethoxyphenyl)-3-methyl-N-propylbut-3-en-2-amine

Drug info:

PubChemData

Smile

CCCNC(C)C(=CC1=CN(N=C1C(C)(C)C)C)C

DOS

IR

Vibrations