Geometry & MOs

Info

ID:	376642
PubChem CID:	134222663
Reduced:	N3O3C32H39 (1)
Stoich.:	A3B3C32D39 (1)
Weight, g/mol:	523.319878
ΔH_f, kcal/mol:	-96.31
Dipole, Da:	2.91
IP(EA), eV:	-8.68(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[2-[[6-(4-tert-butylphenyl)-5-phenylpyridin-3-yl]amino]-2-oxoethyl]cyclohexyl]-N-methylcyclopropanecarboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)C2=C(C=C(C=N2)NC(=O)CC3CCC(CC3)N(C)C(=O)OC)C4=CC=CC=C4

DOS

IR

Vibrations