Geometry & MOs

Info

ID:	432002
PubChem CID:	135172130
Reduced:	O2N3C11H16 (2)
Stoich.:	A2B3C11D16 (2)
Weight, g/mol:	481.330442
ΔH_f, kcal/mol:	-121.3
Dipole, Da:	6.73
IP(EA), eV:	-8.67(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[3-[[5-(methoxymethyl)pyridin-2-yl]amino]-4-[(4-methylcyclohexyl)-(2-methylpropyl)amino]phenyl]butanoate

Drug info:

PubChemData

Smile

C[C@H](CC(=O)O)C1=CC(=C(C=C1)N(CC(C)C)C2CCOCC2)NC3=NNC(=N3)C(=O)N

DOS

IR

Vibrations