Geometry & MOs

Info

ID:	21403
PubChem CID:	588132
Reduced:	ClNO3C18H22 (1)
Stoich.:	ABC3D18E22 (1)
Weight, g/mol:	335.128821
ΔH_f, kcal/mol:	-91.21
Dipole, Da:	4.81
IP(EA), eV:	-9.15(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-chlorophenyl)-3,3-dimethyl-2-morpholin-4-yl-2,4-dihydropyran-5-carbaldehyde

Drug info:

PubChemData

Smile

CC1(C(C(=COC1N2CCOCC2)C=O)C3=CC=C(C=C3)Cl)C

DOS

IR

Vibrations