Geometry & MOs

Info

ID:	394683
PubChem CID:	135023500
Reduced:	ON6C19H20 (1)
Stoich.:	AB6C19D20 (1)
Weight, g/mol:	345.154938
ΔH_f, kcal/mol:	93.9
Dipole, Da:	3.15
IP(EA), eV:	-9.31(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-tert-butyltetrazol-5-yl)-2-methyl-7-nitro-3,5-dihydro-1H-1,5-benzodiazepin-4-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN2C(=NN=N2)C3(CC(=O)NC4=CC=CC=C4N3)C

DOS

IR

Vibrations