Geometry & MOs

Info

ID:	369390
PubChem CID:	127333012
Reduced:	NO5C22H25 (1)
Stoich.:	AB5C22D25 (1)
Weight, g/mol:	390.172562
ΔH_f, kcal/mol:	-172.24
Dipole, Da:	4.64
IP(EA), eV:	-8.31(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxothiolan-3-yl)-N-(pyridin-3-ylmethyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide

Drug info:

PubChemData

Smile

C1CCC(C(C1)O)OC2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCCCO4

DOS

IR

Vibrations