Geometry & MOs

Info

ID:	139978
PubChem CID:	52625812
Reduced:	N4O4C23H31 (1)
Stoich.:	A4B4C23D31 (1)
Weight, g/mol:	438.251858
ΔH_f, kcal/mol:	-127.75
Dipole, Da:	3.67
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.977420
Charge, e:	0

Chem-info

IUPAC name:

4-(4-acetyl-2-methoxyphenoxy)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]butanamide

Drug info:

PubChemData

Smile

C[C@H]1CN(C[C@@H](O1)C)C2=[NH+]C=C(C=C2)CNC(=O)N[C@@H](C)C3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations