Geometry & MOs

Info

ID:	281200
PubChem CID:	103911387
Reduced:	BrNO2C14H20 (1)
Stoich.:	ABC2D14E20 (1)
Weight, g/mol:	283.097521
ΔH_f, kcal/mol:	-80.91
Dipole, Da:	2.57
IP(EA), eV:	-9.34(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-2-methyloxan-4-amine

Drug info:

PubChemData

Smile

CC1CC(CCO1)NCC(C2=CC(=CC=C2)Br)O

DOS

IR

Vibrations