Geometry & MOs

Info

ID:	183194
PubChem CID:	76990678
Reduced:	ON3C10H13 (1)
Stoich.:	AB3C10D13 (1)
Weight, g/mol:	221.133969
ΔH_f, kcal/mol:	33.61
Dipole, Da:	6.08
IP(EA), eV:	-9.2(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-aminobutyl)-6-(difluoromethyl)-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

CC1=NC(=NC(=O)C1=C)CNC2CC2

DOS

IR

Vibrations