Geometry & MOs

Info

ID:	434694
PubChem CID:	135175490
Reduced:	N3O5C40H41 (1)
Stoich.:	A3B5C40D41 (1)
Weight, g/mol:	407.157596
ΔH_f, kcal/mol:	-88.81
Dipole, Da:	7.63
IP(EA), eV:	-8.82(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(4-aminopiperidin-1-yl)-3-[4-(4-chlorophenyl)phenyl]-3,3-difluoro-2-(methylamino)propan-1-one

Drug info:

PubChemData

Smile

CC1(C(OC(O1)C2=CC(=CC=C2)OCCCCOC3=CC=C(C=C3)N4C=C(C(=N4)C5=CC=NC=C5)C6=CC7=C(C=C6)C(=O)CC7)(C)C)C

DOS

IR

Vibrations