Geometry & MOs

Info

ID:	231853
PubChem CID:	87574779
Reduced:	N3O4C26H37 (1)
Stoich.:	A3B4C26D37 (1)
Weight, g/mol:	309.955769
ΔH_f, kcal/mol:	-87.9
Dipole, Da:	2.42
IP(EA), eV:	-8.48(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC1(COC2(CCC(CC2)N(C3CCC(CC3)N)C4=C5C(=CC(=C4)OC)C=CC=N5)OO1)C

DOS

IR

Vibrations