Geometry & MOs

Info

ID:	122200
PubChem CID:	50797849
Reduced:	ClO3N4C19H21 (1)
Stoich.:	AB3C4D19E21 (1)
Weight, g/mol:	471.243439
ΔH_f, kcal/mol:	-61.63
Dipole, Da:	7.54
IP(EA), eV:	-9.3(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(4-fluorophenyl)-5-methyl-N-(3-methylbutyl)-3-phenyl-1,3,4,8-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,10,12-tetraene-8-carboxamide

Drug info:

PubChemData

Smile

C1CN(C(=O)C2=CC(=NN2C1)C(=O)N3CCOCC3)CC4=CC=C(C=C4)Cl

DOS

IR

Vibrations