Geometry & MOs

Info

ID:	274022
PubChem CID:	103806553
Reduced:	BrOSN2C12H17 (1)
Stoich.:	ABCD2E12F17 (1)
Weight, g/mol:	236.163711
ΔH_f, kcal/mol:	-12.63
Dipole, Da:	2.69
IP(EA), eV:	-9.2(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dimethyl-N-(2-pyrrolidin-3-ylethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCCN(C1CCNC1)C(=O)C2=CSC(=C2)Br

DOS

IR

Vibrations