Geometry & MOs

Info

ID:	14972
PubChem CID:	425642
Reduced:	O2N4C19H30 (1)
Stoich.:	A2B4C19D30 (1)
Weight, g/mol:	346.236876
ΔH_f, kcal/mol:	-46.62
Dipole, Da:	1.99
IP(EA), eV:	-9.52(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(14-acetyl-2,2,7,13-tetramethyl-1,4,8,12-tetrazacyclopentadeca-4,7,12,15-tetraen-6-yl)ethanone

Drug info:

PubChemData

Smile

CC1=NCCCN=C(C(C=NC(CN=CC1C(=O)C)(C)C)C(=O)C)C

DOS

IR

Vibrations