Geometry & MOs

Info

ID:	254129
PubChem CID:	103122892
Reduced:	BrON4C12H15 (1)
Stoich.:	ABC4D12E15 (1)
Weight, g/mol:	273.04767
ΔH_f, kcal/mol:	14.08
Dipole, Da:	2.21
IP(EA), eV:	-9.66(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-bromobutyl)-N,1-dimethylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CCC(CCNC(=O)C1=C2C=NC=CN2N=C1)Br

DOS

IR

Vibrations