Geometry & MOs

Info

ID:	249807
PubChem CID:	103092244
Reduced:	NC7H8 (2)
Stoich.:	AB7C8 (2)
Weight, g/mol:	313.06774
ΔH_f, kcal/mol:	57.02
Dipole, Da:	3.9
IP(EA), eV:	-9.01(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(3-bromo-5-ethoxy-4-methoxyphenyl)-N-methylbut-3-en-2-amine

Drug info:

PubChemData

Smile

CC(/C=C/C1=CN=CC2=CC=CC=C21)NC

DOS

IR

Vibrations