Geometry & MOs

Info

ID:	437361
PubChem CID:	135226170
Reduced:	BrN2O2C13H19 (1)
Stoich.:	AB2C2D13E19 (1)
Weight, g/mol:	349.119319
ΔH_f, kcal/mol:	-80.08
Dipole, Da:	2.57
IP(EA), eV:	-9.36(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[(E)-5-chloro-5-(dimethylamino)-4-methylpent-4-enoyl]indazol-1-yl]acetic acid

Drug info:

PubChemData

Smile

CCC(CC)C(=O)NC1=C(C=CC(=N1)Br)COC

DOS

IR

Vibrations