Geometry & MOs

Info

ID:	15834
PubChem CID:	453247
Reduced:	N3O3C18H19 (1)
Stoich.:	A3B3C18D19 (1)
Weight, g/mol:	325.142641
ΔH_f, kcal/mol:	-81.58
Dipole, Da:	2.32
IP(EA), eV:	-8.8(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-(5-oxo-11H-pyrido[3,2-c][1,5]benzodiazepin-6-yl)acetate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)CN1C2=CC=CC=C2NC3=C(C1=O)C=CC=N3

DOS

IR

Vibrations