Geometry & MOs

Info

ID:	357306
PubChem CID:	127293939
Reduced:	OSN4C17H18 (1)
Stoich.:	ABC4D17E18 (1)
Weight, g/mol:	386.268176
ΔH_f, kcal/mol:	54.94
Dipole, Da:	4.89
IP(EA), eV:	-9.14(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[2-(2,5-dimethylpyrrolidin-1-yl)propanoylamino]phenyl]azepane-1-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)C2=CSC(=N2)C3=CC=CC(=C3)C4=NN=C(O4)N

DOS

IR

Vibrations