Geometry & MOs

Info

ID:	166188
PubChem CID:	74648747
Reduced:	OSN3C18H21 (1)
Stoich.:	ABC3D18E21 (1)
Weight, g/mol:	370.200491
ΔH_f, kcal/mol:	26.52
Dipole, Da:	4.34
IP(EA), eV:	-8.87(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-oxoazepan-1-yl)acetamide

Drug info:

PubChemData

Smile

C1C(C(NN1)C2=CC=CC=C2)C(=O)NCCSC3=CC=CC=C3

DOS

IR

Vibrations