Geometry & MOs

Info

ID:	43077
PubChem CID:	10318347
Reduced:	N2O4C23H24 (1)
Stoich.:	A2B4C23D24 (1)
Weight, g/mol:	392.196074
ΔH_f, kcal/mol:	-91.26
Dipole, Da:	3.46
IP(EA), eV:	-9.28(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(E)-C-cyclopropyl-N-ethoxycarbonimidoyl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]-3-ethylurea

Drug info:

PubChemData

Smile

C[C@@H]1C(ON=C1C2=CC=CC=C2)C(=O)N3[C@H](C(OC3=O)(C)C)CC4=CC=CC=C4

DOS

IR

Vibrations