Geometry & MOs

Info

ID:	367925
PubChem CID:	127326099
Reduced:	FO3N4C19H25 (1)
Stoich.:	AB3C4D19E25 (1)
Weight, g/mol:	393.299142
ΔH_f, kcal/mol:	-83.71
Dipole, Da:	2.71
IP(EA), eV:	-8.21(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-[(4-methoxycyclohexyl)-methylamino]ethanone

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)F)N2CCN(CC2)CC3=NOC(=N3)C4CCOCC4

DOS

IR

Vibrations