Geometry & MOs

Info

ID:	168402
PubChem CID:	74962579
Reduced:	NOCl2C26H49 (1)
Stoich.:	ABC2D26E49 (1)
Weight, g/mol:	420.252526
ΔH_f, kcal/mol:	-155.57
Dipole, Da:	2.93
IP(EA), eV:	-9.56(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(2-methylpropan-2-yl)oxymethyl]-2-(naphthalen-2-ylmethyl)-4-propyl-6,7-dihydro-5H-pyrazolo[4,3-e][1,4]diazepin-8-one

Drug info:

PubChemData

Smile

CCCCCCCCC=CCCCCCCCCCCCC(=O)N(CCCl)CCCl

DOS

IR

Vibrations