Geometry & MOs

Info

ID:	256830
PubChem CID:	103141699
Reduced:	O2N5H13C14 (1)
Stoich.:	A2B5C13D14 (1)
Weight, g/mol:	288.220164
ΔH_f, kcal/mol:	85.93
Dipole, Da:	8.1
IP(EA), eV:	-9.3(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-3-methyl-1-[(5-methyloxolan-2-yl)methyl]-4,5-dihydro-2H-1,4-benzodiazepine

Drug info:

PubChemData

Smile

CN1C(=CC=N1)CNC2=C3C=NC=CC3=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations