Geometry & MOs

Info

ID:	415848
PubChem CID:	135088850
Reduced:	OSN5C17H27 (1)
Stoich.:	ABC5D17E27 (1)
Weight, g/mol:	426.263091
ΔH_f, kcal/mol:	-9.26
Dipole, Da:	5.36
IP(EA), eV:	-8.7(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-methoxyphenyl)-N-[(1-propylpiperidin-4-yl)methyl]-3-pyrrolidin-1-yl-1,2-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

CSCCN1CCC(CC1)NC2=NC(=CN=C2)C(=O)N3CCCC3

DOS

IR

Vibrations