Geometry & MOs

Info

ID:	446275
PubChem CID:	135273711
Reduced:	O4N5C23H27 (1)
Stoich.:	A4B5C23D27 (1)
Weight, g/mol:	308.147118
ΔH_f, kcal/mol:	-68.43
Dipole, Da:	5.71
IP(EA), eV:	-8.78(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-hydroxybutoxycarbonyloxy)propyl 4-hydroxybutyl carbonate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1OC(C)C)N(N=C2)C3=CC(=NC(=N3)OC)N4CC5CC(C4)C5C(=O)O

DOS

IR

Vibrations