Geometry & MOs

Info

ID:	249782
PubChem CID:	103092057
Reduced:	BrN2C10H13 (1)
Stoich.:	AB2C10D13 (1)
Weight, g/mol:	212.131349
ΔH_f, kcal/mol:	40.85
Dipole, Da:	2.81
IP(EA), eV:	-9.19(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-methyl-4-quinolin-2-ylbut-3-en-2-amine

Drug info:

PubChemData

Smile

CC(/C=C/C1=NC=C(C=C1)Br)NC

DOS

IR

Vibrations