Geometry & MOs

Info

ID:	223770
PubChem CID:	85335549
Reduced:	N6O9C23H40 (1)
Stoich.:	A6B9C23D40 (1)
Weight, g/mol:	544.198966
ΔH_f, kcal/mol:	-466.17
Dipole, Da:	8.42
IP(EA), eV:	-9.76(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-chlorophenyl)-1-[3-[9-(5H-tetrazol-5-ylmethoxy)-5H-[1]benzoxepino[3,4-b]pyridin-11-ylidene]propyl]piperidin-4-ol

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N)NC(=O)CNC(=O)C(C(C)C)NC(=O)C(C(C)O)NC(=O)C(CCC(=O)O)NC(=O)C

DOS

IR

Vibrations