Geometry & MOs

Info

ID:	148297
PubChem CID:	53787959
Reduced:	ClNSO4C20H22 (1)
Stoich.:	ABCD4E20F22 (1)
Weight, g/mol:	272.250401
ΔH_f, kcal/mol:	-132.16
Dipole, Da:	3.7
IP(EA), eV:	-8.73(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4,8-dimethylnon-1-enyl)-4-propan-2-ylbenzene

Drug info:

PubChemData

Smile

CC(CO)(COS(=O)(=O)C)NCC1=C2C=CC=C(C2=CC3=CC=CC=C31)Cl

DOS

IR

Vibrations