Geometry & MOs

Info

ID:	126430
PubChem CID:	50964809
Reduced:	N5C21H21 (1)
Stoich.:	A5B21C21 (1)
Weight, g/mol:	287.185844
ΔH_f, kcal/mol:	122.32
Dipole, Da:	5.71
IP(EA), eV:	-8.88(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-N-cyclopropyl-4-N-methyl-4-N-[2-(2-methylimidazol-1-yl)ethyl]pyrimidine-2,4,6-triamine

Drug info:

PubChemData

Smile

CC1=C(C=CN=C1)CN2C=NC(=C2CCN3C=CC=N3)C4=CC=CC=C4

DOS

IR

Vibrations