Geometry & MOs

Info

ID:	123448
PubChem CID:	50847768
Reduced:	BrON4H17C18 (1)
Stoich.:	ABC4D17E18 (1)
Weight, g/mol:	297.093583
ΔH_f, kcal/mol:	45.12
Dipole, Da:	4.64
IP(EA), eV:	-9.19(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(4-methylimidazol-1-yl)phenyl]methyl]thiophene-3-carboxamide

Drug info:

PubChemData

Smile

CCC1=NC=CN1C2=CC=C(C=C2)CNC(=O)C3=CC(=CN=C3)Br

DOS

IR

Vibrations