Geometry & MOs

Info

ID:	398215
PubChem CID:	135032333
Reduced:	N2O5C19H32 (1)
Stoich.:	A2B5C19D32 (1)
Weight, g/mol:	420.187801
ΔH_f, kcal/mol:	-168.52
Dipole, Da:	5.14
IP(EA), eV:	-8.57(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(27S)-octacyclo[16.15.0.02,15.03,12.04,9.021,33.024,32.027,31]tritriaconta-1(18),2(15),4,6,8,10,13,16,19,21(33),22,24(32),25,28-tetradecaene

Drug info:

PubChemData

Smile

C1COCCOCCOCCOCCN1CCCNC(=C2C=CC=C2)O

DOS

IR

Vibrations