Geometry & MOs

Info

ID:	330751
PubChem CID:	127248158
Reduced:	O3N4C23H30 (1)
Stoich.:	A3B4C23D30 (1)
Weight, g/mol:	449.24269
ΔH_f, kcal/mol:	-52.53
Dipole, Da:	6.67
IP(EA), eV:	-8.96(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)N1CCC(C1)(CC2=CC(=NO2)C3=CC=CC=C3)C(=O)N4CCCN(CC4)C

DOS

IR

Vibrations