Geometry & MOs

Info

ID:	441220
PubChem CID:	135233706
Reduced:	SO2N4C27H42 (1)
Stoich.:	AB2C4D27E42 (1)
Weight, g/mol:	326.272199
ΔH_f, kcal/mol:	-87.36
Dipole, Da:	3.92
IP(EA), eV:	-7.9(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-but-1-en-2-yl-5-[4-[1-(dimethylamino)ethenyl]-3-methyl-5-methylidenecyclohexa-1,3-dien-1-yl]hex-1-en-1-amine

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)S(=O)(=O)NC2CC(CCC2(C)C)C3=NC(=C(C=C3)NCC(C)(C)C)NC

DOS

IR

Vibrations