Geometry & MOs

Info

ID:	431642
PubChem CID:	135171738
Reduced:	N3O3C25H41 (1)
Stoich.:	A3B3C25D41 (1)
Weight, g/mol:	433.294057
ΔH_f, kcal/mol:	-168.06
Dipole, Da:	3.69
IP(EA), eV:	-8.29(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CC(=O)N1CCC(CC1)N(CC(C)C)C2=C(C=C(C=C2)C(C)CC(=O)OC)N

DOS

IR

Vibrations