Geometry & MOs

Info

ID:	422205
PubChem CID:	135117396
Reduced:	ON4C22H26 (1)
Stoich.:	AB4C22D26 (1)
Weight, g/mol:	384.179755
ΔH_f, kcal/mol:	7.86
Dipole, Da:	1.61
IP(EA), eV:	-9.33(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC1=CC(=NC(=N1)C)N2C[C@H]([C@@H](C2)O)CC3=CC=NC4=CC=CC=C34

DOS

IR

Vibrations