Geometry & MOs

Info

ID:	335805
PubChem CID:	127254667
Reduced:	N3O3C22H23 (1)
Stoich.:	A3B3C22D23 (1)
Weight, g/mol:	420.179755
ΔH_f, kcal/mol:	-23.09
Dipole, Da:	4.19
IP(EA), eV:	-8.76(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-benzoylpiperidin-4-yl)-2-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]acetamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CN3CCOC(C3)C4=CC=CC=C4

DOS

IR

Vibrations