Geometry & MOs

Info

ID:	431905
PubChem CID:	135172026
Reduced:	N3O4C23H37 (1)
Stoich.:	A3B4C23D37 (1)
Weight, g/mol:	462.299476
ΔH_f, kcal/mol:	-186.15
Dipole, Da:	2.87
IP(EA), eV:	-8.24(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[3-[(5-cyanopyridin-2-yl)amino]-4-[cyclohexyl(2-methylpropyl)amino]phenyl]butanoate

Drug info:

PubChemData

Smile

CC(C)CN(C1CCN(CC1)C(=O)COC)C2=C(C=C(C=C2)C(C)CC(=O)OC)N

DOS

IR

Vibrations