Geometry & MOs

Info

ID:	210526
PubChem CID:	80819271
Reduced:	ON5C14H23 (1)
Stoich.:	AB5C14D23 (1)
Weight, g/mol:	246.159295
ΔH_f, kcal/mol:	-4.69
Dipole, Da:	5.0
IP(EA), eV:	-8.24(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(4-imidazol-1-ylbutyl)-6-N-methylpyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CCCCOCCNC1=NC(=CN2C1=NC=C2)NCC

DOS

IR

Vibrations