Geometry & MOs

Info

ID:	247013
PubChem CID:	103066435
Reduced:	BrClNOC12H15 (1)
Stoich.:	ABCDE12F15 (1)
Weight, g/mol:	222.100442
ΔH_f, kcal/mol:	-11.53
Dipole, Da:	1.37
IP(EA), eV:	-9.02(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-methyl-4-nitrophenoxy)methyl]prop-2-en-1-amine

Drug info:

PubChemData

Smile

CCNCC(=C)COC1=C(C=C(C=C1)Br)Cl

DOS

IR

Vibrations