Geometry & MOs

Info

ID:	153504
PubChem CID:	56312737
Reduced:	OF3N4C17H27 (1)
Stoich.:	AB3C4D17E27 (1)
Weight, g/mol:	361.162412
ΔH_f, kcal/mol:	-197.12
Dipole, Da:	4.62
IP(EA), eV:	-8.84(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-ethyl-4-methyl-1,3-thiazol-5-yl)-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]methanone

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(C)CNC(=O)C2=C(N(N=C2)C(C)C)C(F)(F)F

DOS

IR

Vibrations