Geometry & MOs

Info

ID:	158021
PubChem CID:	56459411
Reduced:	F2O2N4C21H28 (1)
Stoich.:	A2B2C4D21E28 (1)
Weight, g/mol:	394.200491
ΔH_f, kcal/mol:	-174.4
Dipole, Da:	5.39
IP(EA), eV:	-9.42(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[[3-(dimethylamino)phenyl]methylcarbamoyl]-2-phenyl-3,4-dihydropyrazole-5-carboxylate

Drug info:

PubChemData

Smile

CCCCCCNC(=O)C1CCCN(C1)C(=O)C2=CC3=C(C=C2)N=C(N3)C(F)F

DOS

IR

Vibrations