Geometry & MOs

Info

ID:	361714
PubChem CID:	127304529
Reduced:	N3O4C20H25 (1)
Stoich.:	A3B4C20D25 (1)
Weight, g/mol:	365.163394
ΔH_f, kcal/mol:	-110.35
Dipole, Da:	8.03
IP(EA), eV:	-8.85(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NN1CC2CN(CCO2)C(=O)C3=CC4=C(C=C3)OCCCO4)C

DOS

IR

Vibrations