Geometry & MOs

Info

ID:	274005
PubChem CID:	103806463
Reduced:	O2N3C14H17 (1)
Stoich.:	A2B3C14D17 (1)
Weight, g/mol:	302.124212
ΔH_f, kcal/mol:	-58.74
Dipole, Da:	4.06
IP(EA), eV:	-9.46(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one

Drug info:

PubChemData

Smile

C1CC(=O)N[C@H]1C(=O)N2CCNCC3=CC=CC=C32

DOS

IR

Vibrations