Geometry & MOs

Info

ID:	183201
PubChem CID:	76990685
Reduced:	ON3C10H13 (1)
Stoich.:	AB3C10D13 (1)
Weight, g/mol:	225.108897
ΔH_f, kcal/mol:	32.36
Dipole, Da:	5.82
IP(EA), eV:	-9.69(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-aminopropyl)-6-(trifluoromethyl)-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

CC1=NC(=NC(=O)C1=C)C(C2CC2)N

DOS

IR

Vibrations