Geometry & MOs

Info

ID:	416884
PubChem CID:	135090674
Reduced:	O3N7C19H21 (1)
Stoich.:	A3B7C19D21 (1)
Weight, g/mol:	247.154544
ΔH_f, kcal/mol:	-13.92
Dipole, Da:	4.9
IP(EA), eV:	-9.51(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-propan-2-yl-N-[3-(2H-tetrazol-5-yl)propyl]pyrimidin-4-amine

Drug info:

PubChemData

Smile

C1C(CN2C(=CC(=N2)C(=O)NCC3=NN=CN3CCC4=CC=CC=C4)C(=O)N1)O

DOS

IR

Vibrations