Geometry & MOs

Info

ID:	272953
PubChem CID:	103768838
Reduced:	BrNO3C14H20 (1)
Stoich.:	ABC3D14E20 (1)
Weight, g/mol:	303.1646
ΔH_f, kcal/mol:	-106.96
Dipole, Da:	4.17
IP(EA), eV:	-8.95(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]-3-methylpentan-1-ol

Drug info:

PubChemData

Smile

CCC(C)(CCO)NCC1=CC2=C(C(=C1)Br)OCO2

DOS

IR

Vibrations