Geometry & MOs

Info

ID:	190233
PubChem CID:	77973574
Reduced:	NSC15H19 (1)
Stoich.:	ABC15D19 (1)
Weight, g/mol:	577.32642
ΔH_f, kcal/mol:	27.96
Dipole, Da:	1.73
IP(EA), eV:	-8.97(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-amino-4-methylpiperidin-1-yl)-3-(4-hydroxy-3,5-dimethylphenyl)-1-oxopropan-2-yl] 4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CCC(C)C(C)C1=CC=C(S1)C2=CC=CC=N2

DOS

IR

Vibrations