Geometry & MOs

Info

ID:	275476
PubChem CID:	103816386
Reduced:	N3O3C12H17 (1)
Stoich.:	A3B3C12D17 (1)
Weight, g/mol:	318.01162
ΔH_f, kcal/mol:	-109.28
Dipole, Da:	3.32
IP(EA), eV:	-9.62(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-2-cyanophenyl)-2-pyrazol-1-ylpropanamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CNC(=O)NCCOCC(=O)N

DOS

IR

Vibrations