Geometry & MOs

Info

ID:	34642
PubChem CID:	7978768
Reduced:	ClN4O4C18H19 (1)
Stoich.:	AB4C4D18E19 (1)
Weight, g/mol:	380.125133
ΔH_f, kcal/mol:	-44.71
Dipole, Da:	8.3
IP(EA), eV:	-9.53(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (E)-3-(1-butyl-5-chloro-3-methylpyrazol-4-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CCCCN1C(=C(C(=N1)C)/C=C/C(=O)OCC2=NN=C(O2)C3=CC=CO3)Cl

DOS

IR

Vibrations