Geometry & MOs

Info

ID:	417115
PubChem CID:	135091395
Reduced:	N5O6C32H39 (1)
Stoich.:	A5B6C32D39 (1)
Weight, g/mol:	370.200491
ΔH_f, kcal/mol:	-112.97
Dipole, Da:	8.05
IP(EA), eV:	-8.5(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(dimethylamino)ethyl]-6-methoxy-3-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)[C@@H]1C(=O)NCCN2C=CN=C2C3=CC(=C(C=C3)OC)OCCN(CC(=O)N1)CC4=CC5=C(C=CC(=C5)OC)OC4

DOS

IR

Vibrations