Geometry & MOs

Info

ID:	48663
PubChem CID:	11110335
Reduced:	N2C23H26 (1)
Stoich.:	A2B23C26 (1)
Weight, g/mol:	330.25588
ΔH_f, kcal/mol:	56.48
Dipole, Da:	0.95
IP(EA), eV:	-8.18(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl (2E,4E)-5-[(1S,3R,4R)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]hexa-2,4-dienoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN(CCC2=CC=C(C=C2)N)CC3=CC=CC=C3

DOS

IR

Vibrations