Geometry & MOs

Info

ID:	210346
PubChem CID:	80792441
Reduced:	BrN4C11H17 (1)
Stoich.:	AB4C11D17 (1)
Weight, g/mol:	290.247047
ΔH_f, kcal/mol:	49.11
Dipole, Da:	2.87
IP(EA), eV:	-8.73(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[(4-ethylcyclohexyl)methyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CC(C1CC1)N(C)C2=NC(=NC=C2Br)NC

DOS

IR

Vibrations