Geometry & MOs

Info

ID:	190661
PubChem CID:	78037023
Reduced:	NO7C21H27 (1)
Stoich.:	AB7C21D27 (1)
Weight, g/mol:	589.270735
ΔH_f, kcal/mol:	-267.4
Dipole, Da:	11.96
IP(EA), eV:	-9.91(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-chlorophenyl)-1-[4-[9-(2-morpholin-4-ylethoxy)-5H-[1]benzoxepino[3,4-b]pyridin-11-ylidene]butyl]piperidin-4-ol

Drug info:

PubChemData

Smile

C1CC(N(C(=O)C1)CC=CCCCC(=O)O)C=CC(CC2=CC=C(O2)C(=O)O)O

DOS

IR

Vibrations