Geometry & MOs

Info

ID:	330452
PubChem CID:	127247856
Reduced:	ClFO2N3C15H19 (1)
Stoich.:	ABC2D3E15F19 (1)
Weight, g/mol:	329.148789
ΔH_f, kcal/mol:	-121.37
Dipole, Da:	7.88
IP(EA), eV:	-9.12(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-acetyl-4-(1H-indazole-3-carbonyl)-1,4-diazepane-6-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N1CCN(CC(C1)C(=O)N)CC2=C(C=C(C=C2)Cl)F

DOS

IR

Vibrations