Geometry & MOs

Info

ID:	286787
PubChem CID:	104222381
Reduced:	N5C13H13 (1)
Stoich.:	A5B13C13 (1)
Weight, g/mol:	281.164046
ΔH_f, kcal/mol:	102.58
Dipole, Da:	5.05
IP(EA), eV:	-9.05(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(benzimidazol-1-yl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine

Drug info:

PubChemData

Smile

CNCC1=CN=C(N=C1)N2C=NC3=CC=CC=C32

DOS

IR

Vibrations