Geometry & MOs

Info

ID:	296121
PubChem CID:	117557178
Reduced:	N5C12H23 (1)
Stoich.:	A5B12C23 (1)
Weight, g/mol:	335.07456
ΔH_f, kcal/mol:	11.55
Dipole, Da:	2.38
IP(EA), eV:	-8.53(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(2-aminoethyl)-6-N-(4-bromophenyl)-4-N,2-dimethylpyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CCN(CC)C1=NC(=NC(=C1)N(C)CCN)C

DOS

IR

Vibrations