Geometry & MOs

Info

ID:	431655
PubChem CID:	135171751
Reduced:	N2O2C23H36 (1)
Stoich.:	A2B2C23D36 (1)
Weight, g/mol:	462.299476
ΔH_f, kcal/mol:	-100.14
Dipole, Da:	2.55
IP(EA), eV:	-8.12(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)CC(C)C1=CC(=C(C=C1)N(CC(C)C)C2CC3(C2)CCC3)N

DOS

IR

Vibrations