Geometry & MOs

Info

ID:	250013
PubChem CID:	103093522
Reduced:	NOBr2C16H23 (1)
Stoich.:	ABC2D16E23 (1)
Weight, g/mol:	311.165207
ΔH_f, kcal/mol:	-28.14
Dipole, Da:	3.53
IP(EA), eV:	-9.1(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(3-chloro-5-ethoxy-4-methoxyphenyl)-3-methyl-N-propylbut-3-en-2-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations