Geometry & MOs

Info

ID:	167207
PubChem CID:	74793228
Reduced:	N2O3C28H36 (1)
Stoich.:	A2B3C28D36 (1)
Weight, g/mol:	425.255266
ΔH_f, kcal/mol:	-94.63
Dipole, Da:	3.31
IP(EA), eV:	-8.8(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-(1-benzylpyrrolidin-1-ium-3-yl)-3-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]propanamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C=CC(=O)NCC2CCC3(O2)CCN(CC3)CCCC4=CC=CC=C4

DOS

IR

Vibrations