Geometry & MOs

Info

ID:	142752
PubChem CID:	53086013
Reduced:	OF2N5C27H27 (1)
Stoich.:	AB2C5D27E27 (1)
Weight, g/mol:	386.231791
ΔH_f, kcal/mol:	-39.04
Dipole, Da:	5.0
IP(EA), eV:	-8.46(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[4-[[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl-methylcarbamoyl]amino]phenyl]acetate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C2=NN3C=CN=C(C3=C2)N4CCCC(C4)C(=O)NCC5=CC(=CC(=C5)F)F)C

DOS

IR

Vibrations