Geometry & MOs

Info

ID:	328871
PubChem CID:	126728459
Reduced:	OSN3C12H13 (2)
Stoich.:	ABC3D12E13 (2)
Weight, g/mol:	311.9665
ΔH_f, kcal/mol:	9.07
Dipole, Da:	5.36
IP(EA), eV:	-8.78(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-2-bromo-N-(3-chloro-4-cyanophenyl)-1-methylcyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

C1CC(CCC1NCC2=NC(=CC=C2)C3=CSC=C3)NC4=NC=CC(=N4)/C=C\5/C(=O)NC(S5)O

DOS

IR

Vibrations