Geometry & MOs

Info

ID:	431907
PubChem CID:	135172028
Reduced:	O3N5C26H41 (1)
Stoich.:	A3B5C26D41 (1)
Weight, g/mol:	448.283826
ΔH_f, kcal/mol:	-105.58
Dipole, Da:	2.62
IP(EA), eV:	-8.4(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C[C@@H](C)C1=CC(=C(C=C1)N(CC(C)C)C2CCCCC2)NC3=NNC(=N3)COC

DOS

IR

Vibrations