Geometry & MOs

Info

ID:	249800
PubChem CID:	103092205
Reduced:	BrNSC10H14 (1)
Stoich.:	ABCD10E14 (1)
Weight, g/mol:	203.1674
ΔH_f, kcal/mol:	25.25
Dipole, Da:	2.63
IP(EA), eV:	-8.97(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-methyl-4-(2,4,5-trimethylphenyl)but-3-en-2-amine

Drug info:

PubChemData

Smile

CC1=C(C=C(S1)/C=C/C(C)NC)Br

DOS

IR

Vibrations