Geometry & MOs

Info

ID:	363091
PubChem CID:	127310122
Reduced:	FO2N4C18H19 (1)
Stoich.:	AB2C4D18E19 (1)
Weight, g/mol:	364.168145
ΔH_f, kcal/mol:	-50.6
Dipole, Da:	3.5
IP(EA), eV:	-9.08(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone

Drug info:

PubChemData

Smile

CC1=CN(N=C1)CC2CN(CCO2)C(=O)C3=CC4=C(N3)C=CC=C4F

DOS

IR

Vibrations