Geometry & MOs

Info

ID:	233115
PubChem CID:	87692426
Reduced:	O2N4H24C25 (1)
Stoich.:	A2B4C24D25 (1)
Weight, g/mol:	412.189926
ΔH_f, kcal/mol:	49.28
Dipole, Da:	6.59
IP(EA), eV:	-8.3(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-methylpiperazin-1-yl)-2-phenoxy-1-phenylbenzimidazole-5-carbaldehyde

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC2=NC3=C(N2C4=CC=CC=C4)C=CC(=C3)C=O)N5CCNCC5

DOS

IR

Vibrations