Geometry & MOs

Info

ID:	132074
PubChem CID:	51302627
Reduced:	N2O3C17H24 (1)
Stoich.:	A2B3C17D24 (1)
Weight, g/mol:	397.247775
ΔH_f, kcal/mol:	-104.2
Dipole, Da:	5.67
IP(EA), eV:	-8.23(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

C1CCCN(CCC1)CCC(=O)NC2=CC3=C(C=C2)OCO3

DOS

IR

Vibrations