Geometry & MOs

Info

ID:	247042
PubChem CID:	103066805
Reduced:	NOC17H19 (1)
Stoich.:	ABC17D19 (1)
Weight, g/mol:	236.116092
ΔH_f, kcal/mol:	25.57
Dipole, Da:	0.95
IP(EA), eV:	-8.88(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-2-[(5-methyl-2-nitrophenoxy)methyl]prop-2-en-1-amine

Drug info:

PubChemData

Smile

CNCC(=C)COC1=CC=CC=C1C2=CC=CC=C2

DOS

IR

Vibrations