Geometry & MOs

Info

ID:	391880
PubChem CID:	135010537
Reduced:	BrO3C24H25 (1)
Stoich.:	AB3C24D25 (1)
Weight, g/mol:	434.09674
ΔH_f, kcal/mol:	-83.89
Dipole, Da:	4.95
IP(EA), eV:	-8.82(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-azido-N-benzyl-N-[(4-iodophenyl)methyl]-3-methylbutan-2-amine

Drug info:

PubChemData

Smile

CC1(CC2C(C(C1CC2=O)C(=O)C3=CC=C(C=C3)Br)C4=CC=C(C=C4)OC)C

DOS

IR

Vibrations