Geometry & MOs

Info

ID:	296484
PubChem CID:	117577877
Reduced:	N5C13H23 (1)
Stoich.:	A5B13C23 (1)
Weight, g/mol:	219.148396
ΔH_f, kcal/mol:	4.7
Dipole, Da:	2.53
IP(EA), eV:	-8.55(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(azetidin-3-yl)-6-N-cyclopropyl-2-methylpyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CC1=NC(=CC(=N1)N2CCCCC2)NC(C)CN

DOS

IR

Vibrations