Geometry & MOs

Info

ID:	145975
PubChem CID:	53620339
Reduced:	FO2N3C18H28 (1)
Stoich.:	AB2C3D18E28 (1)
Weight, g/mol:	336.252526
ΔH_f, kcal/mol:	-118.25
Dipole, Da:	5.41
IP(EA), eV:	-8.83(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-tert-butyl-3,5-dimethylpyrazol-4-yl)-[4-(2-hydroxybutyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CCN(CC1=CC(=CC=C1)F)C(=O)CN2CCOC(C2)CN(C)C

DOS

IR

Vibrations