Geometry & MOs

Info

ID:	176314
PubChem CID:	76032427
Reduced:	ON7C20H21 (1)
Stoich.:	AB7C20D21 (1)
Weight, g/mol:	364.160751
ΔH_f, kcal/mol:	98.59
Dipole, Da:	10.75
IP(EA), eV:	-7.97(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[4-(2-azidoethyl)triazol-1-yl]-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

CC1CN2C(=N1)C3=NC(=C4C=C(N(N4)C)C)N=C3N(C2=O)CC5=CC=CC=C5

DOS

IR

Vibrations