Geometry & MOs

Info

ID:	312851
PubChem CID:	126609217
Reduced:	O2N8C27H39 (1)
Stoich.:	A2B8C27D39 (1)
Weight, g/mol:	284.138559
ΔH_f, kcal/mol:	-32.67
Dipole, Da:	1.86
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.822095
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-2-N-(4,5,6-trimethyl-1,3-benzoxazol-7-yl)-1,3,5-triazine-2,4-diamine

Drug info:

PubChemData

Smile

CCCCN1CCN(CC1)C(=O)C2=CC3=C(C=C2)[N+](=C(N3CC)CNC(=O)C4=NC(=CN=C4N)C)CC

DOS

IR

Vibrations