Geometry & MOs

Info

ID:	431643
PubChem CID:	135171739
Reduced:	N3O4C24H39 (1)
Stoich.:	A3B4C24D39 (1)
Weight, g/mol:	433.294057
ΔH_f, kcal/mol:	-192.34
Dipole, Da:	3.52
IP(EA), eV:	-8.36(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[3-amino-4-[[1-(3-methoxypropanoyl)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)CCOC)N

DOS

IR

Vibrations