Geometry & MOs

Info

ID:	216634
PubChem CID:	85086529
Reduced:	N3O4H13C14 (1)
Stoich.:	A3B4C13D14 (1)
Weight, g/mol:	287.148121
ΔH_f, kcal/mol:	-37.93
Dipole, Da:	6.96
IP(EA), eV:	-8.84(-1.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(3-azido-6-methoxyoxan-2-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C2=NC=NC(=O)C2C#N

DOS

IR

Vibrations