Geometry & MOs

Info

ID:	330735
PubChem CID:	127248142
Reduced:	O3N4C22H28 (1)
Stoich.:	A3B4C22D28 (1)
Weight, g/mol:	379.16444
ΔH_f, kcal/mol:	-52.77
Dipole, Da:	5.61
IP(EA), eV:	-9.4(-0.37)
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-(1H-pyrazole-5-carbonyl)pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)C1(CCN(C1)C(=O)CN2CCCC2)CC3=CC(=NO3)C4=CC=CC=C4

DOS

IR

Vibrations