Geometry & MOs

Info

ID:	431641
PubChem CID:	135171737
Reduced:	N3O3C25H41 (1)
Stoich.:	A3B3C25D41 (1)
Weight, g/mol:	431.314792
ΔH_f, kcal/mol:	-166.61
Dipole, Da:	3.44
IP(EA), eV:	-8.29(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[3-amino-4-[[1-(3-methylbutanoyl)piperidin-4-yl]-(2-methylpropyl)amino]phenyl]butanoate

Drug info:

PubChemData

Smile

C[C@H](CC(=O)OC)C1=CC(=C(C=C1)N(CC(C)C)C2CCN(CC2)C(=O)CC(C)C)N

DOS

IR

Vibrations