Geometry & MOs

Info

ID:	286774
PubChem CID:	104222353
Reduced:	N6C11H16 (1)
Stoich.:	A6B11C16 (1)
Weight, g/mol:	217.132746
ΔH_f, kcal/mol:	93.95
Dipole, Da:	6.95
IP(EA), eV:	-9.56(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CNCC1=CN=C(N=C1)N2C=NC=N2

DOS

IR

Vibrations