Geometry & MOs

Info

ID:	72322
PubChem CID:	48416045
Reduced:	O3N4C23H26 (1)
Stoich.:	A3B4C23D26 (1)
Weight, g/mol:	386.185509
ΔH_f, kcal/mol:	-60.87
Dipole, Da:	5.28
IP(EA), eV:	-8.67(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyl-3-(pyrimidin-2-ylamino)benzamide

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)C3CC(=O)N(C3)C4=CC=C(C=C4)OC

DOS

IR

Vibrations