Geometry & MOs

Info

ID:	249925
PubChem CID:	103092895
Reduced:	BrNSC10H14 (1)
Stoich.:	ABCD10E14 (1)
Weight, g/mol:	219.162314
ΔH_f, kcal/mol:	26.89
Dipole, Da:	2.47
IP(EA), eV:	-9.05(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(4-methoxy-3-methylphenyl)-N,3-dimethylbut-3-en-2-amine

Drug info:

PubChemData

Smile

CC(C(=CC1=CC(=CS1)Br)C)NC

DOS

IR

Vibrations