Geometry & MOs

Info

ID:	242444
PubChem CID:	96100090
Reduced:	O2N6C11H14 (1)
Stoich.:	A2B6C11D14 (1)
Weight, g/mol:	303.169525
ΔH_f, kcal/mol:	0.02
Dipole, Da:	4.0
IP(EA), eV:	-9.42(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-3-pyrrol-1-ylbutan-1-one

Drug info:

PubChemData

Smile

CC1=NC(=NN1)[C@@H]2CN(CCO2)C(=O)C3=CN=CN3

DOS

IR

Vibrations