Geometry & MOs

Info

ID:	161635
PubChem CID:	57392202
Reduced:	N3O3C20H27 (1)
Stoich.:	A3B3C20D27 (1)
Weight, g/mol:	583.194358
ΔH_f, kcal/mol:	-76.59
Dipole, Da:	7.76
IP(EA), eV:	-9.72(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(1-benzyl-7-oxo-2,6-dihydropyrazolo[3,4-b][1,4]diazepin-5-yl)phenyl]-3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

C[C@H]1CC[C@H](CC2=C(C(=O)C[C@@H]12)C)C(=C)C(=O)OCCCN3C=NC=N3

DOS

IR

Vibrations