Geometry & MOs

Info

ID:	821
PubChem CID:	3400
Reduced:	ClFON2H16C19 (1)
Stoich.:	ABCD2E16F19 (1)
Weight, g/mol:	342.093519
ΔH_f, kcal/mol:	-9.57
Dipole, Da:	2.93
IP(EA), eV:	-9.19(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-1-(cyclopropylmethyl)-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-one

Drug info:

PubChemData

Smile

C1CC1CN2C(=O)CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4F

DOS

IR

Vibrations