Geometry & MOs

Info

ID:	431815
PubChem CID:	135171921
Reduced:	N3O3C22H35 (1)
Stoich.:	A3B3C22D35 (1)
Weight, g/mol:	389.267842
ΔH_f, kcal/mol:	-152.32
Dipole, Da:	6.4
IP(EA), eV:	-8.36(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[4-[(1-acetylpiperidin-4-yl)-(2-methylpropyl)amino]-3-aminophenyl]butanoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations