Geometry & MOs

Info

ID:	302813
PubChem CID:	124396696
Reduced:	NO3C18H27 (1)
Stoich.:	AB3C18D27 (1)
Weight, g/mol:	428.231122
ΔH_f, kcal/mol:	-128.67
Dipole, Da:	2.54
IP(EA), eV:	-8.69(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3S,4S,7R,9R,13S)-4-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-9,13-dimethyl-6,14-dioxatetracyclo[7.5.0.01,13.03,7]tetradecan-5-one

Drug info:

PubChemData

Smile

CC(=O)O[C@]1(CCCC[C@@H]1CN(C)C)C2=CC(=CC=C2)OC

DOS

IR

Vibrations