Geometry & MOs

Info

ID:	430251
PubChem CID:	135170315
Reduced:	O2N3C22H31 (1)
Stoich.:	A2B3C22D31 (1)
Weight, g/mol:	241.11365
ΔH_f, kcal/mol:	-64.19
Dipole, Da:	1.26
IP(EA), eV:	-7.98(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

15-oxa-12-thia-8-azatetracyclo[8.4.1.02,6.011,13]pentadecan-7-ol

Drug info:

PubChemData

Smile

CC1=NC2=CC(=C(C=C2C3=C1CC(N3)(C)C)OC)OCCCN4CCCC4

DOS

IR

Vibrations