Geometry & MOs

Info

ID:	192980
PubChem CID:	78331343
Reduced:	ClO2N4C23H29 (1)
Stoich.:	AB2C4D23E29 (1)
Weight, g/mol:	289.19026
ΔH_f, kcal/mol:	-57.07
Dipole, Da:	3.34
IP(EA), eV:	-8.88(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4,5-dimethyl-6-oxo-1,3-diazinan-2-yl)-1-(2,4-dimethylphenyl)guanidine

Drug info:

PubChemData

Smile

CC1=C(C(=O)N2C(N1)C(CN2)C(=O)NCCC3=CCCCC3)CC4=CC=CC=C4Cl

DOS

IR

Vibrations