Geometry & MOs

Info

ID:	149618
PubChem CID:	53789292
Reduced:	N2O2C15H16 (1)
Stoich.:	A2B2C15D16 (1)
Weight, g/mol:	454.365825
ΔH_f, kcal/mol:	-34.42
Dipole, Da:	4.47
IP(EA), eV:	-10.14(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

hydroxymethyl 2-butyl-7-[(8S,9R)-8-hexyl-2,3-dimethyl-1,4-dioxaspiro[4.4]nonan-9-yl]heptanoate

Drug info:

PubChemData

Smile

CC(C)CC1(C(=O)N=C2N1C(=O)C3=CC=CC=C32)C

DOS

IR

Vibrations