Geometry & MOs

Info

ID:	49310
PubChem CID:	11532783
Reduced:	N4O5C25H28 (1)
Stoich.:	A4B5C25D28 (1)
Weight, g/mol:	464.196074
ΔH_f, kcal/mol:	-110.89
Dipole, Da:	6.87
IP(EA), eV:	-8.72(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-3-[4-(3-phenylmethoxypyridin-2-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea

Drug info:

PubChemData

Smile

COC1=NC2=C(C=CN=C2C=C1)NC(=O)COC3CCCN(C3)CC4=CC5=C(C=C4)OCCO5

DOS

IR

Vibrations