Geometry & MOs

Info

ID:	183829
PubChem CID:	77075701
Reduced:	O4N5C10H13 (1)
Stoich.:	A4B5C10D13 (1)
Weight, g/mol:	247.077933
ΔH_f, kcal/mol:	-69.3
Dipole, Da:	4.47
IP(EA), eV:	-9.51(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1H-imidazol-5-ylmethyl)-3-(5-methylthiophen-2-yl)prop-2-enamide

Drug info:

PubChemData

Smile

C1C(CNC(=O)C1C(=O)NCC2=CN=CN2)[N+](=O)[O-]

DOS

IR

Vibrations