Geometry & MOs

Info

ID:	419566
PubChem CID:	135108423
Reduced:	O3N4C19H26 (1)
Stoich.:	A3B4C19D26 (1)
Weight, g/mol:	298.179361
ΔH_f, kcal/mol:	-62.68
Dipole, Da:	4.16
IP(EA), eV:	-9.18(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-(3,4-dihydro-2H-chromen-6-ylmethyl)-4-N,4-N,5-trimethylpyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CCC1=NN=C(O1)CN(C)C(=O)CC2CN(CCO2)CC3=CC=CC=C3

DOS

IR

Vibrations