Geometry & MOs

Info

ID:	207694
PubChem CID:	80439116
Reduced:	IN3C16H26 (1)
Stoich.:	AB3C16D26 (1)
Weight, g/mol:	273.195346
ΔH_f, kcal/mol:	-4.12
Dipole, Da:	1.65
IP(EA), eV:	-9.12(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-2-(3-ethylimidazol-4-yl)-6-(2-methylpropyl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCC1CCC(CC1)C2=NC(=C(C(=N2)N)I)CC(C)C

DOS

IR

Vibrations