Geometry & MOs

Info

ID:	147522
PubChem CID:	53787178
Reduced:	ClO3N5H22C24 (1)
Stoich.:	AB3C5D22E24 (1)
Weight, g/mol:	276.052877
ΔH_f, kcal/mol:	11.46
Dipole, Da:	9.07
IP(EA), eV:	-8.61(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-but-2-enyl-2-methyl-5-(trifluoromethyl)benzoyl chloride

Drug info:

PubChemData

Smile

CC1=NC(=C(C=C1)OCCCNC(=O)C2=C(C=C(C=C2)N=[N+]=[N-])O)C=CC3=CC(=CC=C3)Cl

DOS

IR

Vibrations