Geometry & MOs

Info

ID:	394482
PubChem CID:	135023063
Reduced:	NSO2C27H31 (1)
Stoich.:	ABC2D27E31 (1)
Weight, g/mol:	238.135765
ΔH_f, kcal/mol:	-41.97
Dipole, Da:	5.86
IP(EA), eV:	-9.14(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methoxy-4-(1-phenylbut-2-enyl)benzene

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CC(CC2C3=CC=CC=C3)C4=CC=C(C=C4)C(C)(C)C

DOS

IR

Vibrations