Geometry & MOs

Info

ID:	281224
PubChem CID:	103911529
Reduced:	NO2C13H25 (1)
Stoich.:	AB2C13D25 (1)
Weight, g/mol:	283.05718
ΔH_f, kcal/mol:	-127.75
Dipole, Da:	1.4
IP(EA), eV:	-9.0(2.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[[(4-bromophenyl)-cyclopropylmethyl]amino]propan-2-ol

Drug info:

PubChemData

Smile

CC1CC(CCO1)NC2CC(OC(C2)C)C

DOS

IR

Vibrations