Geometry & MOs

Info

ID:	310011
PubChem CID:	126572771
Reduced:	FON3C25H28 (1)
Stoich.:	ABC3D25E28 (1)
Weight, g/mol:	364.134241
ΔH_f, kcal/mol:	-50.94
Dipole, Da:	5.48
IP(EA), eV:	-9.46(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-3-(4-chlorophenyl)-5-pyridin-3-ylbenzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C2=CC(=CC(=C2)C(=O)NC(C)(C)C)C3=CN=CN=C3C(C)C)F

DOS

IR

Vibrations