Geometry & MOs

Info

ID:	146224
PubChem CID:	53653774
Reduced:	O3N10C22H36 (1)
Stoich.:	A3B10C22D36 (1)
Weight, g/mol:	226.19328
ΔH_f, kcal/mol:	-83.08
Dipole, Da:	1.8
IP(EA), eV:	-9.39(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylundec-1-enyl acetate

Drug info:

PubChemData

Smile

CC(CNC1=NC(=NC(=N1)C2CC3CC2CC3C4=NC(=NC(=N4)NCC(C)O)N)NCC(C)O)O

DOS

IR

Vibrations