Geometry & MOs

Info

ID:	29398
PubChem CID:	833521
Reduced:	BrN2O2H11C12 (1)
Stoich.:	AB2C2D11E12 (1)
Weight, g/mol:	269.116427
ΔH_f, kcal/mol:	-8.86
Dipole, Da:	4.19
IP(EA), eV:	-9.14(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(3-methylpyrazole-1-carbonyl)phenyl]cyclopropanecarboxamide

Drug info:

PubChemData

Smile

CC1=NN(C=C1)C(=O)COC2=CC=C(C=C2)Br

DOS

IR

Vibrations