Geometry & MOs

Info

ID:	361669
PubChem CID:	127304001
Reduced:	ON3C10H12 (2)
Stoich.:	AB3C10D12 (2)
Weight, g/mol:	385.222623
ΔH_f, kcal/mol:	55.32
Dipole, Da:	10.29
IP(EA), eV:	-9.68(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide

Drug info:

PubChemData

Smile

CC(C)C1=NOC2=C1C=C(C=N2)C(=O)N3CCC(CC3)C4=NN=CN4C5CC5

DOS

IR

Vibrations