Geometry & MOs

Info

ID:	150442
PubChem CID:	53790132
Reduced:	N2O4H18C21 (1)
Stoich.:	A2B4C18D21 (1)
Weight, g/mol:	253.050571
ΔH_f, kcal/mol:	-98.35
Dipole, Da:	10.24
IP(EA), eV:	-9.1(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-but-2-enyl-2-methyl-5-nitrobenzoyl chloride

Drug info:

PubChemData

Smile

CCC1C2=C(COC1=O)C(=O)N3CC4=C(C3=C2)N=C5C=CC(=CC5=C4)OC

DOS

IR

Vibrations