Geometry & MOs

Info

ID:	350870
PubChem CID:	127279158
Reduced:	NC10H19 (1)
Stoich.:	AB10C19 (1)
Weight, g/mol:	395.182062
ΔH_f, kcal/mol:	-13.78
Dipole, Da:	1.51
IP(EA), eV:	-8.6(2.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-(2-cyclobutylpyrrolidin-1-yl)acetyl]-4-(trifluoromethyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one

Drug info:

PubChemData

Smile

CCN1CCCC1C2CCC2

DOS

IR

Vibrations