Geometry & MOs

Info

ID:	210573
PubChem CID:	80824249
Reduced:	N5C14H15 (1)
Stoich.:	A5B14C15 (1)
Weight, g/mol:	272.174945
ΔH_f, kcal/mol:	96.95
Dipole, Da:	5.85
IP(EA), eV:	-8.91(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-N-methyl-4-N-[(5-methylpyrazin-2-yl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CC1=C(N=CN=C1N(C)C2=CC=CC(=C2)C#N)NC

DOS

IR

Vibrations