Geometry & MOs

Info

ID:	155345
PubChem CID:	56352934
Reduced:	Cl3O3N4C22H23 (1)
Stoich.:	A3B3C4D22E23 (1)
Weight, g/mol:	498.214617
ΔH_f, kcal/mol:	-108.37
Dipole, Da:	7.94
IP(EA), eV:	-8.96(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chlorophenyl)-4-[3-(3-methoxy-1,4,6-trimethylpyrazolo[3,4-b]pyridin-5-yl)propanoyl]-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)N1CCCN(CC1)C(=O)NC2=CC(=CC=C2)Cl)NC(=O)C3=C(C(=CC=C3)Cl)Cl

DOS

IR

Vibrations