Geometry & MOs

Info

ID:	243815
PubChem CID:	99239824
Reduced:	BrON7H12C14 (1)
Stoich.:	ABC7D12E14 (1)
Weight, g/mol:	422.04121
ΔH_f, kcal/mol:	130.09
Dipole, Da:	12.22
IP(EA), eV:	-9.17(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-5-cyclopropyl-N'-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)-1H-pyrazole-3-carbohydrazide

Drug info:

PubChemData

Smile

C1CC1C2=C(C(=NN2)C(=O)NC3=CC=C(C=C3)N4C=NN=N4)Br

DOS

IR

Vibrations