Geometry & MOs

Info

ID:	210339
PubChem CID:	80791033
Reduced:	N5C12H15 (1)
Stoich.:	A5B12C15 (1)
Weight, g/mol:	236.174945
ΔH_f, kcal/mol:	60.38
Dipole, Da:	1.78
IP(EA), eV:	-9.01(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-2,4,6-triamine

Drug info:

PubChemData

Smile

CC1=C(N=CN=C1NCCC2=CC=NC=C2)N

DOS

IR

Vibrations