Geometry & MOs

Info

ID:	242475
PubChem CID:	96100301
Reduced:	O3N5C15H23 (1)
Stoich.:	A3B5C15D23 (1)
Weight, g/mol:	321.18009
ΔH_f, kcal/mol:	-77.72
Dipole, Da:	6.43
IP(EA), eV:	-9.19(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-2-cyclopropyl-1-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-1-oxopropan-2-yl]acetamide

Drug info:

PubChemData

Smile

CC1=NC(=NN1)[C@H]2CN(CCO2)C(=O)[C@@](C)(C3CC3)NC(=O)C

DOS

IR

Vibrations