Geometry & MOs

Info

ID:	223586
PubChem CID:	85335278
Reduced:	ClO3N4H21C24 (1)
Stoich.:	AB3C4D21E24 (1)
Weight, g/mol:	446.176106
ΔH_f, kcal/mol:	-35.65
Dipole, Da:	1.64
IP(EA), eV:	-9.44(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(6H-[2]benzoxepino[4,3-b]pyridin-11-ylidene)propyl]-4-(4-chlorophenyl)piperidin-4-ol

Drug info:

PubChemData

Smile

C1C(=O)NC(=O)N(N1)C2=CC(=C(C=C2)Cl)C(=O)NCC(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations