Geometry & MOs

Info

ID:	433075
PubChem CID:	135173212
Reduced:	NC14H25 (1)
Stoich.:	AB14C25 (1)
Weight, g/mol:	338.174276
ΔH_f, kcal/mol:	-2.5
Dipole, Da:	2.05
IP(EA), eV:	-9.27(1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-hydroxy-2-methylpropyl)-4-[(3S)-3-methyl-2,7,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraen-11-yl]pyridin-2-one

Drug info:

PubChemData

Smile

CCCCCC1C=C(CC1C2CN2)CC

DOS

IR

Vibrations