Geometry & MOs

Info

ID:	446003
PubChem CID:	135271255
Reduced:	OC13H26 (1)
Stoich.:	AB13C26 (1)
Weight, g/mol:	407.184506
ΔH_f, kcal/mol:	-101.09
Dipole, Da:	2.98
IP(EA), eV:	-9.48(0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2,2-dimethyl-4-(3-methyl-2-oxo-5-pyridin-2-yl-3H-1,4-benzodiazepin-1-yl)-3-oxobutyl] acetate

Drug info:

PubChemData

Smile

CCCC(C)(CC)C(=O)CC(C)(C)C

DOS

IR

Vibrations