Geometry & MOs

Info

ID:	359518
PubChem CID:	127298792
Reduced:	O2N5C22H33 (1)
Stoich.:	A2B5C22D33 (1)
Weight, g/mol:	355.237211
ΔH_f, kcal/mol:	-57.1
Dipole, Da:	4.9
IP(EA), eV:	-8.44(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-(2,4-dimethylpiperazin-1-yl)propanamide

Drug info:

PubChemData

Smile

CC1CN(CCN1CC(=O)NC2=C(C3=C(N2CC4CCCO4)CCCC3)C#N)C

DOS

IR

Vibrations