Geometry & MOs

Info

ID:	323743
PubChem CID:	126675969
Reduced:	ClPN3O9C20H25 (1)
Stoich.:	ABC3D9E20F25 (1)
Weight, g/mol:	368.149793
ΔH_f, kcal/mol:	-431.65
Dipole, Da:	6.7
IP(EA), eV:	-9.62(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyano-2-[2-[4-(pyridin-4-ylamino)phenyl]-3H-benzimidazol-5-yl]guanidine

Drug info:

PubChemData

Smile

CC(C)OC(=O)CNP(=O)(OC[C@@H]1[C@H]([C@@H]([C@@H](O1)N2C=CC(=O)NC2=O)Cl)O)OC3=CC=CC=C3

DOS

IR

Vibrations