Geometry & MOs

Info

ID:	170625
PubChem CID:	75260416
Reduced:	O2N6C19H26 (1)
Stoich.:	A2B6C19D26 (1)
Weight, g/mol:	412.197137
ΔH_f, kcal/mol:	-4.34
Dipole, Da:	5.79
IP(EA), eV:	-8.8(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methoxyethyl)-1-[[1-(pyrazolo[1,5-a]pyrazine-3-carbonyl)piperidin-3-yl]methyl]triazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(CN1C(=O)C=CC(=N1)C2CC2)NC(=O)C3=CN=C(N=C3)N(C)C

DOS

IR

Vibrations