Geometry & MOs

Info

ID:	184974
PubChem CID:	77236443
Reduced:	O4N5C28H33 (1)
Stoich.:	A4B5C28D33 (1)
Weight, g/mol:	421.200156
ΔH_f, kcal/mol:	-85.52
Dipole, Da:	9.14
IP(EA), eV:	-8.6(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[2,2-dimethyl-5-(2-phenylethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]ethyl]-1,2,3-benzotriazin-4-one

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C(=O)N(N=N2)CCC(C(CCC3=CC=C(C=C3)C4=CN(N=C4)CC(C)C)O)C(=O)O

DOS

IR

Vibrations