Geometry & MOs

Info

ID:	72192
PubChem CID:	48415909
Reduced:	OCl2N3H17C18 (1)
Stoich.:	AB2C3D17E18 (1)
Weight, g/mol:	351.231063
ΔH_f, kcal/mol:	6.38
Dipole, Da:	6.7
IP(EA), eV:	-9.22(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyladamantane-1-carboxamide

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)C3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations