Geometry & MOs

Info

ID:	217888
PubChem CID:	85088537
Reduced:	ClN2O2C24H25 (1)
Stoich.:	AB2C2D24E25 (1)
Weight, g/mol:	408.10083
ΔH_f, kcal/mol:	-34.59
Dipole, Da:	2.37
IP(EA), eV:	-9.04(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-azido-2-[5-(2-bromo-1-hydroxyethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]carbamate

Drug info:

PubChemData

Smile

CCCCC1=NC=C(N1CC2=CC=CC=C2Cl)C=C(C3=CC=CC=C3C)C(=O)O

DOS

IR

Vibrations