Geometry & MOs

Info

ID:	249711
PubChem CID:	103091497
Reduced:	N3C8H13 (1)
Stoich.:	A3B8C13 (1)
Weight, g/mol:	299.05209
ΔH_f, kcal/mol:	36.53
Dipole, Da:	3.78
IP(EA), eV:	-8.87(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(/C=C/C1=CN=CN1C)N

DOS

IR

Vibrations