Geometry & MOs

Info

ID:	431790
PubChem CID:	135171896
Reduced:	O3N4C26H34 (1)
Stoich.:	A3B4C26D34 (1)
Weight, g/mol:	457.249605
ΔH_f, kcal/mol:	-70.35
Dipole, Da:	6.72
IP(EA), eV:	-8.81(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[3-[(5-chloropyridin-2-yl)amino]-4-[cyclohexyl(2-methylpropyl)amino]phenyl]butanoate

Drug info:

PubChemData

Smile

CC(C)CN(CC(C)C)C1=C(C=C(C=C1)C(C)CC(=O)O)NC2=NN=C(O2)C3=CC=CC=C3

DOS

IR

Vibrations