Geometry & MOs

Info

ID:	57519
PubChem CID:	22401404
Reduced:	O2N6C29H32 (1)
Stoich.:	A2B6C29D32 (1)
Weight, g/mol:	160.063663
ΔH_f, kcal/mol:	37.08
Dipole, Da:	5.74
IP(EA), eV:	-9.1(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1H-cyclohepta[d]imidazol-4-one

Drug info:

PubChemData

Smile

CCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)/C(=C/C(=O)O)/CC(CC2)C(C)C

DOS

IR

Vibrations