Geometry & MOs

Info

ID:	322084
PubChem CID:	126668532
Reduced:	ClSO4N5H16C17 (1)
Stoich.:	ABC4D5E16F17 (1)
Weight, g/mol:	124.100048
ΔH_f, kcal/mol:	2.72
Dipole, Da:	9.19
IP(EA), eV:	-9.49(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-2,3-dihydro-1H-diazepine

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)C#N)N(CC(=O)OC)C2=C(C(=NC(=N2)SC)Cl)[N+](=O)[O-]

DOS

IR

Vibrations