Geometry & MOs

Info

ID:	362449
PubChem CID:	127307795
Reduced:	SO3N5C16H21 (1)
Stoich.:	AB3C5D16E21 (1)
Weight, g/mol:	348.252526
ΔH_f, kcal/mol:	-35.9
Dipole, Da:	2.96
IP(EA), eV:	-9.24(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-2-(2,5-dimethylpyrrolidin-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1=NOC(=N1)C(C)N2CCN(CC2)C(=O)CNC(=O)C3=CSC=C3

DOS

IR

Vibrations