Geometry & MOs

Info

ID:	330570
PubChem CID:	127247977
Reduced:	OF2N3C16H23 (1)
Stoich.:	AB2C3D16E23 (1)
Weight, g/mol:	311.180919
ΔH_f, kcal/mol:	-106.29
Dipole, Da:	3.86
IP(EA), eV:	-8.78(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2,4-difluorophenyl)methyl]-N,N,4-trimethyl-1,4-diazepane-6-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(CC(C1)C(=O)N(C)C)CC2=C(C=CC(=C2)F)F

DOS

IR

Vibrations