Geometry & MOs

Info

ID:	391118
PubChem CID:	135002924
Reduced:	NO4C19H23 (1)
Stoich.:	AB4C19D23 (1)
Weight, g/mol:	348.108562
ΔH_f, kcal/mol:	-130.39
Dipole, Da:	4.11
IP(EA), eV:	-8.46(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S,3S)-2-phenyl-4-(trifluoromethyl)-2,3-dihydro-1H-1,5-benzodiazepine-3-carboxylate

Drug info:

PubChemData

Smile

CCCCN1C(C=CC(=C1C(=O)OC)C(=O)OC)C2=CC=CC=C2

DOS

IR

Vibrations