Geometry & MOs

Info

ID:	360343
PubChem CID:	127300986
Reduced:	O2N4C21H34 (1)
Stoich.:	A2B4C21D34 (1)
Weight, g/mol:	396.216141
ΔH_f, kcal/mol:	-99.21
Dipole, Da:	7.97
IP(EA), eV:	-8.84(0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-4-benzyl-5-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-1-carbonyl]morpholin-3-one

Drug info:

PubChemData

Smile

CCC(C)C(=O)N1CCCC(C1)C(=O)N2CCCC2C3=C(N(N=C3C)C)C

DOS

IR

Vibrations