Geometry & MOs

Info

ID:	238648
PubChem CID:	92764874
Reduced:	N3O3C19H27 (1)
Stoich.:	A3B3C19D27 (1)
Weight, g/mol:	342.218639
ΔH_f, kcal/mol:	-48.91
Dipole, Da:	6.12
IP(EA), eV:	-8.48(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2S)-4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-(3-methylbutyl)piperazin-2-yl]ethanol

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1CN2CCN(C[C@@H]2CCO)CC3=NOC=C3

DOS

IR

Vibrations