Geometry & MOs

Info

ID:	192636
PubChem CID:	78295147
Reduced:	O4N5C14H22 (1)
Stoich.:	A4B5C14D22 (1)
Weight, g/mol:	289.19026
ΔH_f, kcal/mol:	-132.28
Dipole, Da:	5.04
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.873870
Charge, e:	0

Chem-info

IUPAC name:

1-(3-methylphenyl)-2-(4-oxo-6-propyl-1,3-diazinan-2-yl)guanidine

Drug info:

PubChemData

Smile

CCOCCCNC(=O)C[N+]1=CN=C2C1C(=O)N(C(=O)N2C)C

DOS

IR

Vibrations