Geometry & MOs

Info

ID:	435456
PubChem CID:	135191504
Reduced:	ON7C16H19 (1)
Stoich.:	AB7C16D19 (1)
Weight, g/mol:	543.170509
ΔH_f, kcal/mol:	56.88
Dipole, Da:	4.97
IP(EA), eV:	-8.29(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[N'-(2,2,2-trifluoroacetyl)carbamimidoyl]phenyl]-2-[[[4-(trifluoromethyl)benzoyl]amino]methyl]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

COCCNC1=NC(=NC2=C1C=CN2)NC3=CC(=C(C=C3)C=N)N

DOS

IR

Vibrations