Geometry & MOs

Info

ID:	330481
PubChem CID:	127247888
Reduced:	O3N5C17H27 (1)
Stoich.:	A3B5C17D27 (1)
Weight, g/mol:	349.216555
ΔH_f, kcal/mol:	-99.56
Dipole, Da:	3.97
IP(EA), eV:	-8.86(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-fluorophenyl)ethyl]-4-(oxan-4-yl)-1,4-diazepane-6-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C=C1C(=O)N2CCN(CC(C2)C(=O)N)C3CCOCC3)C

DOS

IR

Vibrations