Geometry & MOs

Info

ID:	368690
PubChem CID:	127329827
Reduced:	ON3C9H16 (2)
Stoich.:	AB3C9D16 (2)
Weight, g/mol:	378.274324
ΔH_f, kcal/mol:	-53.88
Dipole, Da:	3.14
IP(EA), eV:	-8.47(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-propan-2-ylmorpholin-2-yl)methyl]-N-(2-propylpyrazol-3-yl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)NC(=O)N2CCN(CC2)CC3CN(CCO3)C(C)C

DOS

IR

Vibrations