Geometry & MOs

Info

ID:	362597
PubChem CID:	127308368
Reduced:	O2N5C21H35 (1)
Stoich.:	A2B5C21D35 (1)
Weight, g/mol:	361.284161
ΔH_f, kcal/mol:	-78.97
Dipole, Da:	2.82
IP(EA), eV:	-9.0(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-ditert-butylpyrazol-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=NN(C(=C1)NC(=O)NC2CCN(CC2)C(=O)C3CC3)C(C)(C)C

DOS

IR

Vibrations