Geometry & MOs

Info

ID:	438961
PubChem CID:	135228722
Reduced:	N3O5C25H31 (1)
Stoich.:	A3B5C25D31 (1)
Weight, g/mol:	317.30825
ΔH_f, kcal/mol:	-167.88
Dipole, Da:	11.76
IP(EA), eV:	-8.39(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1E,3Z)-3-[(Z)-but-1-enyl]-2,5,7-trimethyl-8-propyldodeca-1,3,11-trien-1-amine

Drug info:

PubChemData

Smile

CC(C)(C)C1CC2=CC(=C(C=C2C3=CC(=O)C(=CN13)C(=O)O)OC)/C(=C/N)/C=NCCCO

DOS

IR

Vibrations