Geometry & MOs

Info

ID:	273947
PubChem CID:	103806030
Reduced:	BrOSN2C10H13 (1)
Stoich.:	ABCD2E10F13 (1)
Weight, g/mol:	256.132411
ΔH_f, kcal/mol:	-6.65
Dipole, Da:	3.97
IP(EA), eV:	-9.05(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1H-indol-5-yl)-1,3-dimethylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1CNCCN1C(=O)C2=CSC(=C2)Br

DOS

IR

Vibrations