Geometry & MOs

Info

ID:	311868
PubChem CID:	126598636
Reduced:	O3N4C29H46 (1)
Stoich.:	A3B4C29D46 (1)
Weight, g/mol:	191.1674
ΔH_f, kcal/mol:	-132.91
Dipole, Da:	2.33
IP(EA), eV:	-8.15(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z,7E)-3,4-diethyl-7-methyl-5,6-dihydro-2H-azonine

Drug info:

PubChemData

Smile

CC1=C(CC2=C(C1)C[C@@]3(C(C2CNC(=O)[C@H](C)N)CC(CC4=CC(=C(C(C43)O)OC)C)N(C)C)C)N

DOS

IR

Vibrations