Geometry & MOs

Info

ID:	245660
PubChem CID:	99455819
Reduced:	Cl2N3O3C21H29 (1)
Stoich.:	A2B3C3D21E29 (1)
Weight, g/mol:	459.196963
ΔH_f, kcal/mol:	-140.62
Dipole, Da:	2.55
IP(EA), eV:	-8.95(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S)-1-[2-(difluoromethoxy)benzoyl]piperidin-3-yl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

C[C@H]1CN(C[C@@H](O1)C)[C@@H](C)CNC(=O)[C@@H]2CCCN2C(=O)C3=C(C=CC(=C3)Cl)Cl

DOS

IR

Vibrations