Geometry & MOs

Info

ID:	249816
PubChem CID:	103092275
Reduced:	BrN2C11H15 (1)
Stoich.:	AB2C11D15 (1)
Weight, g/mol:	312.12407
ΔH_f, kcal/mol:	37.17
Dipole, Da:	3.3
IP(EA), eV:	-9.14(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-chloro-4-[(E)-3-(ethylamino)but-1-enyl]-6-methoxyphenoxy]acetamide

Drug info:

PubChemData

Smile

CCNC(C)/C=C/C1=CC(=CN=C1)Br

DOS

IR

Vibrations