Geometry & MOs

Info

ID:	286776
PubChem CID:	104222359
Reduced:	N5C11H13 (1)
Stoich.:	A5B11C13 (1)
Weight, g/mol:	231.148396
ΔH_f, kcal/mol:	106.49
Dipole, Da:	6.85
IP(EA), eV:	-9.48(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-imidazol-1-ylpyrimidin-5-yl)methyl]-2-methylpropan-2-amine

Drug info:

PubChemData

Smile

C1CC1NCC2=CN=C(N=C2)N3C=CN=C3

DOS

IR

Vibrations