Geometry & MOs

Info

ID:	234087
PubChem CID:	92297689
Reduced:	O4N5C16H19 (1)
Stoich.:	A4B5C16D19 (1)
Weight, g/mol:	242.188195
ΔH_f, kcal/mol:	-120.3
Dipole, Da:	6.56
IP(EA), eV:	-8.78(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (10R)-10-methyl-11-oxododecanoate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OC[C@@H](CN2C3=C(N=C2N)N(C(=O)NC3=O)C)O

DOS

IR

Vibrations