Geometry & MOs

Info

ID:	242483
PubChem CID:	96100344
Reduced:	ON2C9H11 (2)
Stoich.:	AB2C9D11 (2)
Weight, g/mol:	326.174276
ΔH_f, kcal/mol:	-5.44
Dipole, Da:	6.42
IP(EA), eV:	-9.05(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,2S)-2-(2-methylphenyl)cyclopropyl]-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC=CC=C1[C@@H]2C[C@@H]2C(=O)N3CCO[C@@H](C3)C4=NNC(=N4)C

DOS

IR

Vibrations