Geometry & MOs

Info

ID:	199489
PubChem CID:	79254875
Reduced:	BrNO2C14H20 (1)
Stoich.:	ABC2D14E20 (1)
Weight, g/mol:	251.188529
ΔH_f, kcal/mol:	-81.92
Dipole, Da:	4.95
IP(EA), eV:	-8.89(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(4-methoxyphenyl)propan-2-ylamino]-3-methylbutan-1-ol

Drug info:

PubChemData

Smile

CC(C)C(CO)NC1CCOC2=C1C=C(C=C2)Br

DOS

IR

Vibrations