Geometry & MOs

Info

ID:	191733
PubChem CID:	78182562
Reduced:	O2N3C28H33 (1)
Stoich.:	A2B3C28D33 (1)
Weight, g/mol:	291.158292
ΔH_f, kcal/mol:	-33.27
Dipole, Da:	2.96
IP(EA), eV:	-9.22(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-morpholin-4-yl-5-phenylpyrazolidine-3-carboxylate

Drug info:

PubChemData

Smile

CC12CCC3C(C1CC=C2C4=CN=CC=C4)CC=C(N3C(=O)OC(C)(C)C)C5=CN=CC=C5

DOS

IR

Vibrations