Geometry & MOs

Info

ID:	330569
PubChem CID:	127247976
Reduced:	O2N3C16H31 (1)
Stoich.:	A2B3C16D31 (1)
Weight, g/mol:	311.180919
ΔH_f, kcal/mol:	-106.15
Dipole, Da:	2.87
IP(EA), eV:	-8.44(1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2,5-difluorophenyl)methyl]-N,N,4-trimethyl-1,4-diazepane-6-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(CC(C1)C(=O)N(C)C)CC2(CCCCC2)O

DOS

IR

Vibrations