Geometry & MOs

Info

ID:	296122
PubChem CID:	117557185
Reduced:	BrN5C14H18 (1)
Stoich.:	AB5C14D18 (1)
Weight, g/mol:	251.210996
ΔH_f, kcal/mol:	54.89
Dipole, Da:	4.22
IP(EA), eV:	-8.61(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-N-tert-butyl-4-N,2-dimethyl-4-N-[2-(methylamino)ethyl]pyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CC1=NC(=CC(=N1)N(C)CCN)NC2=CC=C(C=C2)Br

DOS

IR

Vibrations