Geometry & MOs

Info

ID:	46342
PubChem CID:	10523970
Reduced:	ON4H22C24 (1)
Stoich.:	AB4C22D24 (1)
Weight, g/mol:	382.179361
ΔH_f, kcal/mol:	70.9
Dipole, Da:	0.69
IP(EA), eV:	-9.23(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(1H-imidazol-2-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-naphthalen-1-ylmethanone

Drug info:

PubChemData

Smile

CN1C(=O)C2=CC=CC=C2N=C1C(=NCC3=CC=CC=C3)NCC4=CC=CC=C4

DOS

IR

Vibrations