Geometry & MOs

Info

ID:	123641
PubChem CID:	50857578
Reduced:	O2N3H15C18 (1)
Stoich.:	A2B3C15D18 (1)
Weight, g/mol:	323.126991
ΔH_f, kcal/mol:	85.31
Dipole, Da:	11.46
IP(EA), eV:	-9.1(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dimethyl-5-[(5-methyl-1-phenylpyrrol-3-yl)methylidene]-1,3-diazinane-2,4,6-trione

Drug info:

PubChemData

Smile

CC1=CC(=CN1C2=CC=CC=C2)C=NC3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations