Geometry & MOs

Info

ID:	357562
PubChem CID:	127294225
Reduced:	FSO2N3H16C17 (1)
Stoich.:	ABC2D3E16F17 (1)
Weight, g/mol:	386.268176
ΔH_f, kcal/mol:	-75.47
Dipole, Da:	5.86
IP(EA), eV:	-9.26(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[[2-(azepan-1-yl)pyridin-4-yl]methylamino]-1-oxopropan-2-yl]cyclohexanecarboxamide

Drug info:

PubChemData

Smile

C1CN(CC1C2=CC=CC=C2F)C(=O)C3=CN=C4N(C3=O)CCS4

DOS

IR

Vibrations