Geometry & MOs

Info

ID:	12240
PubChem CID:	133410
Reduced:	O3N4C14H20 (1)
Stoich.:	A3B4C14D20 (1)
Weight, g/mol:	292.153541
ΔH_f, kcal/mol:	-42.98
Dipole, Da:	9.31
IP(EA), eV:	-8.79(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-azido-2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]ethanone

Drug info:

PubChemData

Smile

CC(C)NCC(COC1=C(C=C(C=C1)N=[N+]=[N-])C(=O)C)O

DOS

IR

Vibrations