Geometry & MOs

Info

ID:	357948
PubChem CID:	127295448
Reduced:	N3O3C17H31 (1)
Stoich.:	A3B3C17D31 (1)
Weight, g/mol:	333.151098
ΔH_f, kcal/mol:	-174.08
Dipole, Da:	1.53
IP(EA), eV:	-9.42(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-[[methyl(oxan-3-ylmethyl)amino]methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)NC(=O)CN(C)CC2CCCOC2

DOS

IR

Vibrations