Geometry & MOs

Info

ID:	424165
PubChem CID:	135121579
Reduced:	O4N5H17C20 (1)
Stoich.:	A4B5C17D20 (1)
Weight, g/mol:	413.148789
ΔH_f, kcal/mol:	-39.74
Dipole, Da:	11.85
IP(EA), eV:	-8.51(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]benzimidazol-1-yl]-(3-nitrophenyl)methanone

Drug info:

PubChemData

Smile

CC(=O)N1CC(=O)N(C2=CC=CC=C21)CC(=O)NNC3=C4C=CC=CC4=NC3=O

DOS

IR

Vibrations