Geometry & MOs

Info

ID:	420029
PubChem CID:	135110819
Reduced:	FO2N3C18H20 (1)
Stoich.:	AB2C3D18E20 (1)
Weight, g/mol:	315.158292
ΔH_f, kcal/mol:	-85.28
Dipole, Da:	5.2
IP(EA), eV:	-9.42(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)CC(=O)N2C[C@H]([C@@H](C2)O)CC3=NC=CN=C3

DOS

IR

Vibrations