Geometry & MOs

Info

ID:	441176
PubChem CID:	135233444
Reduced:	SO3N4C26H38 (1)
Stoich.:	AB3C4D26E38 (1)
Weight, g/mol:	257.21435
ΔH_f, kcal/mol:	-97.12
Dipole, Da:	3.83
IP(EA), eV:	-7.89(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-5-(4-but-1-en-2-yl-5-methylidenecyclohexa-1,3-dien-1-yl)-N-methylhex-1-en-1-amine

Drug info:

PubChemData

Smile

CC1(CCC(CC1NS(=O)(=O)C2=CC=C(C=C2)C=O)C3=NC(=C(C=C3)NCC(C)(C)C)NC)C

DOS

IR

Vibrations