Geometry & MOs

Info

ID:	379536
PubChem CID:	134441781
Reduced:	O2N4H18C21 (1)
Stoich.:	A2B4C18D21 (1)
Weight, g/mol:	289.880439
ΔH_f, kcal/mol:	57.8
Dipole, Da:	7.59
IP(EA), eV:	-9.77(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2,3-trichloro-5-[(1R)-2,2-dichlorocyclopropyl]benzene

Drug info:

PubChemData

Smile

CC1=C(N=C(C(=N1)C(=O)C2=NC3=CC=CC=C3N=C2)C(=O)C)/C=C\C(=C)C

DOS

IR

Vibrations