Geometry & MOs

Info

ID:	126311
PubChem CID:	50959072
Reduced:	N3O4C18H21 (1)
Stoich.:	A3B4C18D21 (1)
Weight, g/mol:	312.183778
ΔH_f, kcal/mol:	-148.18
Dipole, Da:	6.04
IP(EA), eV:	-8.83(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,5-dimethylphenyl)-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)NC(=O)C=C2C(=O)N[C@H]3C[C@H](N(C3)C)C(=O)OC

DOS

IR

Vibrations