Geometry & MOs

Info

ID:	34497
PubChem CID:	7978567
Reduced:	NO2C18H21 (1)
Stoich.:	AB2C18D21 (1)
Weight, g/mol:	287.103669
ΔH_f, kcal/mol:	-58.61
Dipole, Da:	4.32
IP(EA), eV:	-8.63(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-amino-1-oxopropan-2-yl] 1-butyl-5-chloro-3-methylpyrazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CNC(=O)CCOC2=CC=CC=C2C

DOS

IR

Vibrations