Geometry & MOs

Info

ID:	43878
PubChem CID:	10321921
Reduced:	N6H26C29 (1)
Stoich.:	A6B26C29 (1)
Weight, g/mol:	458.17631
ΔH_f, kcal/mol:	144.19
Dipole, Da:	3.76
IP(EA), eV:	-7.88(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,6R,9S)-3-(phenylmethoxymethyl)-1,7-dioxaspiro[5.5]undec-4-en-9-yl]methyl 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=CC5=C(C=C4)N=C(N5)C6=CC7=CC=CC=C7C=C6

DOS

IR

Vibrations