Geometry & MOs

Info

ID:	349568
PubChem CID:	127275455
Reduced:	F2N3O3C20H25 (1)
Stoich.:	A2B3C3D20E25 (1)
Weight, g/mol:	391.204196
ΔH_f, kcal/mol:	-188.98
Dipole, Da:	3.51
IP(EA), eV:	-9.54(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-(1,3-thiazol-4-ylmethyl)-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

C1CC1C(=O)N2CCC(CC2)NC(=O)N3CCOC(C3)C4=CC(=C(C=C4)F)F

DOS

IR

Vibrations