Geometry & MOs

Info

ID:	360299
PubChem CID:	127300942
Reduced:	ON2C11H14 (2)
Stoich.:	AB2C11D14 (2)
Weight, g/mol:	350.185509
ΔH_f, kcal/mol:	-46.8
Dipole, Da:	5.82
IP(EA), eV:	-8.93(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(1,2,4-triazol-1-yl)phenyl]-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)C2CCCN2C(=O)C3CC(=O)N(C3)CC4=CC=CC=C4

DOS

IR

Vibrations