Geometry & MOs

Info

ID:	210350
PubChem CID:	80794092
Reduced:	ClN4C14H17 (1)
Stoich.:	AB4C14D17 (1)
Weight, g/mol:	236.163711
ΔH_f, kcal/mol:	43.38
Dipole, Da:	4.69
IP(EA), eV:	-8.97(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethyl-4-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CCC1=C(N=CN=C1N(C)CC2=CC(=CC=C2)Cl)N

DOS

IR

Vibrations