Geometry & MOs

Info

ID:	361735
PubChem CID:	127304551
Reduced:	O2N5C21H29 (1)
Stoich.:	A2B5C21D29 (1)
Weight, g/mol:	394.203862
ΔH_f, kcal/mol:	-31.91
Dipole, Da:	2.22
IP(EA), eV:	-8.75(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-2-oxoethyl]sulfanyl-1-piperidin-1-ylethanone

Drug info:

PubChemData

Smile

CC1=CC(=NN1CC2CN(CCO2)C(=O)C3=C(N=CC=C3)N4CCCCC4)C

DOS

IR

Vibrations