Geometry & MOs

Info

ID:	228116
PubChem CID:	87563477
Reduced:	N4O4H24C27 (1)
Stoich.:	A4B4C24D27 (1)
Weight, g/mol:	178.084124
ΔH_f, kcal/mol:	-38.38
Dipole, Da:	8.42
IP(EA), eV:	-8.37(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-hydroxypropoxy)propyl hydrogen carbonate

Drug info:

PubChemData

Smile

CC(=O)C1=CC=CC(=C1)C(CC2=C/C(=C\3/NNC(=O)N3C4=CC5=C(C=C4)N(C=C5)C)/C(=O)C=C2)O

DOS

IR

Vibrations