Geometry & MOs

Info

ID:	255577
PubChem CID:	103133115
Reduced:	BrNO3C16H24 (1)
Stoich.:	ABC3D16E24 (1)
Weight, g/mol:	313.144471
ΔH_f, kcal/mol:	-115.2
Dipole, Da:	4.34
IP(EA), eV:	-8.85(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-chloro-4-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]-2-methoxyethanamine

Drug info:

PubChemData

Smile

CC1CCC(O1)COC2=C(C=C(C=C2)Br)CNCCOC

DOS

IR

Vibrations