Geometry & MOs

Info

ID:	330734
PubChem CID:	127248141
Reduced:	N3O3C22H27 (1)
Stoich.:	A3B3C22D27 (1)
Weight, g/mol:	396.216141
ΔH_f, kcal/mol:	-64.61
Dipole, Da:	5.21
IP(EA), eV:	-9.44(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1-(2-pyrrolidin-1-ylacetyl)pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)C1(CCN(C1)C(=O)C2CCCC2)CC3=CC(=NO3)C4=CC=CC=C4

DOS

IR

Vibrations