Geometry & MOs

Info

ID:	141600
PubChem CID:	52900426
Reduced:	NOC7H7 (3)
Stoich.:	ABC7D7 (3)
Weight, g/mol:	347.219549
ΔH_f, kcal/mol:	-57.05
Dipole, Da:	5.62
IP(EA), eV:	-8.23(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

dimethyl-[2-[[2-[5-(propan-2-ylcarbamoylamino)benzimidazol-1-yl]acetyl]amino]ethyl]azanium

Drug info:

PubChemData

Smile

CN1C=CC2=C(C=CC=C21)NC(=O)[C@H]3CC(=O)N(C3)C4=CC=C(C=C4)OC

DOS

IR

Vibrations