Geometry & MOs

Info

ID:	330746
PubChem CID:	127248153
Reduced:	N3O4C26H29 (1)
Stoich.:	A3B4C26D29 (1)
Weight, g/mol:	445.236542
ΔH_f, kcal/mol:	-80.22
Dipole, Da:	3.18
IP(EA), eV:	-9.11(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3,4-dimethylphenyl)acetyl]-N-methyl-3-[[3-(2-methylphenyl)-1,2-oxazol-5-yl]methyl]pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=NOC(=C2)CC3(CCN(C3)C(=O)CC4=CC(=CC=C4)OC)C(=O)NC

DOS

IR

Vibrations