Geometry & MOs

Info

ID:	249833
PubChem CID:	103092337
Reduced:	NOC14H17 (1)
Stoich.:	ABC14D17 (1)
Weight, g/mol:	267.06226
ΔH_f, kcal/mol:	8.03
Dipole, Da:	2.19
IP(EA), eV:	-8.7(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(2-bromo-4-methylphenyl)-N-ethylbut-3-en-2-amine

Drug info:

PubChemData

Smile

CCNC(C)/C=C/C1=CC2=CC=CC=C2O1

DOS

IR

Vibrations