Geometry & MOs

Info

ID:	242473
PubChem CID:	96100298
Reduced:	O3N6C14H18 (1)
Stoich.:	A3B6C14D18 (1)
Weight, g/mol:	321.18009
ΔH_f, kcal/mol:	-40.74
Dipole, Da:	7.51
IP(EA), eV:	-9.28(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-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=NN(C(=O)C=C1)CC(=O)N2CCO[C@@H](C2)C3=NNC(=N3)C

DOS

IR

Vibrations