Geometry & MOs

Info

ID:	433042
PubChem CID:	135173179
Reduced:	O3N4C24H30 (1)
Stoich.:	A3B4C24D30 (1)
Weight, g/mol:	326.24571
ΔH_f, kcal/mol:	-66.74
Dipole, Da:	1.52
IP(EA), eV:	-8.79(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 5-cyclopentyl-2-propylpentanoate

Drug info:

PubChemData

Smile

CC1=CC2=C(CN(C2=O)CCNC)N=C1N3CCC(CC3)OC4=CC5=C(COC5)C=C4

DOS

IR

Vibrations