Geometry & MOs

Info

ID:	367684
PubChem CID:	127325392
Reduced:	ON2C7H8 (2)
Stoich.:	AB2C7D8 (2)
Weight, g/mol:	314.185509
ΔH_f, kcal/mol:	-11.13
Dipole, Da:	5.53
IP(EA), eV:	-9.8(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-(4,5-dimethyl-1H-pyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

C1CC(COC1)NC(=O)C2=CC(=CC=C2)N3C=NC=N3

DOS

IR

Vibrations