Geometry & MOs

Info

ID:	249874
PubChem CID:	103092598
Reduced:	NO2C16H25 (1)
Stoich.:	AB2C16D25 (1)
Weight, g/mol:	297.149557
ΔH_f, kcal/mol:	-61.72
Dipole, Da:	2.35
IP(EA), eV:	-8.61(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations