Geometry & MOs

Info

ID:	165948
PubChem CID:	74617758
Reduced:	N2O3C21H28 (1)
Stoich.:	A2B3C21D28 (1)
Weight, g/mol:	354.182254
ΔH_f, kcal/mol:	-114.69
Dipole, Da:	1.76
IP(EA), eV:	-8.88(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(tert-butylamino)-2-oxoethyl]-3-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]prop-2-enamide

Drug info:

PubChemData

Smile

CCCCC1=C(C2=CC=CC=C2O1)C=CC(=O)NCC(=O)NC(C)(C)C

DOS

IR

Vibrations