Geometry & MOs

Info

ID:	432383
PubChem CID:	135172516
Reduced:	ClO5N8C43H53 (1)
Stoich.:	AB5C8D43E53 (1)
Weight, g/mol:	167.1674
ΔH_f, kcal/mol:	-113.76
Dipole, Da:	6.78
IP(EA), eV:	-8.77(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E,5Z)-N-ethyl-2-methylocta-3,5-dien-4-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC2C(O2)C3=NC4=C(N3C)CCN(C4)C5CCC(CC5)(C)C(=O)O)C6=C(C(=CC=C6)NC(=O)C7=NC8=C(N7C)CCN(C8)C9CCOCC9)Cl

DOS

IR

Vibrations