Geometry & MOs

Info

ID:	131218
PubChem CID:	51176616
Reduced:	ClFN2O2C16H18 (1)
Stoich.:	ABC2D2E16F18 (1)
Weight, g/mol:	356.02727
ΔH_f, kcal/mol:	-133.1
Dipole, Da:	4.63
IP(EA), eV:	-9.3(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-benzylpyrazol-3-yl)-5-bromopyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)N2CC(CC2=O)C(=O)NC3=C(C=C(C=C3)Cl)F

DOS

IR

Vibrations