Geometry & MOs

Info

ID:	242478
PubChem CID:	96100323
Reduced:	O3N5C16H25 (1)
Stoich.:	A3B5C16D25 (1)
Weight, g/mol:	341.148789
ΔH_f, kcal/mol:	-111.13
Dipole, Da:	3.9
IP(EA), eV:	-9.11(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2R)-1-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-1-oxopropan-2-yl]oxybenzonitrile

Drug info:

PubChemData

Smile

CC1=NC(=NN1)[C@H]2CN(CCO2)C(=O)[C@H](C3CCCC3)NC(=O)C

DOS

IR

Vibrations