Geometry & MOs

Info

ID:	361358
PubChem CID:	127302667
Reduced:	N3O3C17H21 (1)
Stoich.:	A3B3C17D21 (1)
Weight, g/mol:	389.163394
ΔH_f, kcal/mol:	-119.47
Dipole, Da:	7.14
IP(EA), eV:	-9.2(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CNC(=O)CN2C(=O)C3CCCCN3C2=O

DOS

IR

Vibrations