Geometry & MOs

Info

ID:	376641
PubChem CID:	134222662
Reduced:	ON2C17H21 (2)
Stoich.:	AB2C17D21 (2)
Weight, g/mol:	513.299142
ΔH_f, kcal/mol:	-46.76
Dipole, Da:	3.9
IP(EA), eV:	-8.82(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)N(C)C1CCC(CC1)CC(=O)NC2=CC(=C(N=C2)C3=CC=C(C=C3)C4(CC(C4)(C)C)N)C5=CC=CC=C5

DOS

IR

Vibrations