Geometry & MOs

Info

ID:	198148
PubChem CID:	79056910
Reduced:	NC4H8 (4)
Stoich.:	AB4C8 (4)
Weight, g/mol:	294.205576
ΔH_f, kcal/mol:	-0.08
Dipole, Da:	1.15
IP(EA), eV:	-8.24(0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-3-morpholin-4-yl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-one

Drug info:

PubChemData

Smile

CCN1C(=CC(=N1)C)CC(C(C)(C)N(CC)CC)NC

DOS

IR

Vibrations