Geometry & MOs

Info

ID:	11825
PubChem CID:	121478
Reduced:	ClNO6C17H22 (1)
Stoich.:	ABC6D17E22 (1)
Weight, g/mol:	371.113565
ΔH_f, kcal/mol:	-210.46
Dipole, Da:	5.09
IP(EA), eV:	-9.0(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

but-2-enedioic acid;1-[3-[(4-chlorophenoxy)methyl]oxetan-3-yl]-N,N-dimethylmethanamine

Drug info:

PubChemData

Smile

CN(C)CC1(COC1)COC2=CC=C(C=C2)Cl.C(=CC(=O)O)C(=O)O

DOS

IR

Vibrations