Geometry & MOs

Info

ID:	368689
PubChem CID:	127329826
Reduced:	OSN4C12H20 (1)
Stoich.:	ABC4D12E20 (1)
Weight, g/mol:	364.258674
ΔH_f, kcal/mol:	-29.68
Dipole, Da:	7.23
IP(EA), eV:	-9.07(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN=C(S1)NC(=O)N2CCCCC2C(C)C

DOS

IR

Vibrations