Geometry & MOs

Info

ID:	254136
PubChem CID:	103122992
Reduced:	BrON3C15H18 (1)
Stoich.:	ABC3D15E18 (1)
Weight, g/mol:	299.06332
ΔH_f, kcal/mol:	21.21
Dipole, Da:	2.36
IP(EA), eV:	-9.19(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-bromopropyl)-N-cyclobutyl-1-methylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C1CC(C1)N(CCCBr)C(=O)C2=C3C=CC=CN3N=C2

DOS

IR

Vibrations