Geometry & MOs

Info

ID:	166351
PubChem CID:	74675526
Reduced:	N2O2C15H18 (1)
Stoich.:	A2B2C15D18 (1)
Weight, g/mol:	454.152456
ΔH_f, kcal/mol:	-26.02
Dipole, Da:	4.58
IP(EA), eV:	-9.42(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

5-[2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-ium-1-yl]acetyl]-4-(trifluoromethyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one

Drug info:

PubChemData

Smile

CCCCN(C)C(=O)C1=NC(=O)C2C=CC=CC2=C1

DOS

IR

Vibrations