Geometry & MOs

Info

ID:	338179
PubChem CID:	127258871
Reduced:	Cl2N2O2C7H12 (1)
Stoich.:	A2B2C2D7E12 (1)
Weight, g/mol:	154.074228
ΔH_f, kcal/mol:	-104.29
Dipole, Da:	3.2
IP(EA), eV:	-9.16(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1,7-dihydrodiazepine-2-carboxylate

Drug info:

PubChemData

Smile

COC(=O)N1C=CC=CCN1.Cl.Cl

DOS

IR

Vibrations