Geometry & MOs

Info

ID:	435818
PubChem CID:	135192500
Reduced:	ClO4N10H27C29 (1)
Stoich.:	AB4C10D27E29 (1)
Weight, g/mol:	243.1987
ΔH_f, kcal/mol:	17.71
Dipole, Da:	7.07
IP(EA), eV:	-8.92(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z,4Z)-4-ethyl-N-methyl-N-[1-(3-methylcyclobuta-1,3-dien-1-yl)ethyl]hepta-2,4,6-trien-2-amine

Drug info:

PubChemData

Smile

C[C@@H]1CCCC[C@@H](C2=NC=CC(=C2)C3=C(C=NN3CC(=O)O)NC1=O)N4C=NC(=CC4=O)C5=C(C=CC(=C5)Cl)N6C=NN=N6

DOS

IR

Vibrations