Geometry & MOs

Info

ID:	82921
PubChem CID:	49856808
Reduced:	NO12C26H31 (1)
Stoich.:	AB12C26D31 (1)
Weight, g/mol:	167.117095
ΔH_f, kcal/mol:	-443.0
Dipole, Da:	7.95
IP(EA), eV:	-9.2(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(2-aminopropyl)pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CC(=O)OC1=C(C=C(C=C1OC)C(=O)NCCOCCOC(=O)C2=CC(=C(C(=C2)OC)OC(=O)C)OC)OC

DOS

IR

Vibrations