Geometry & MOs

Info

ID:	17743
PubChem CID:	516692
Reduced:	N5C11H13 (1)
Stoich.:	A5B11C13 (1)
Weight, g/mol:	215.117095
ΔH_f, kcal/mol:	58.02
Dipole, Da:	1.65
IP(EA), eV:	-8.46(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(anilinomethyl)pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NCC2=CN=C(N=C2N)N

DOS

IR

Vibrations