Geometry & MOs

Info

ID:	58735
PubChem CID:	24714792
Reduced:	O2N3C18H25 (1)
Stoich.:	A2B3C18D25 (1)
Weight, g/mol:	347.130363
ΔH_f, kcal/mol:	-72.49
Dipole, Da:	2.78
IP(EA), eV:	-8.77(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-[[(2-hydroxy-3-prop-2-ynoxypropyl)-methylamino]methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C(C2CCNCC2)NC(=O)C3=CC=CC=C3

DOS

IR

Vibrations