Geometry & MOs

Info

ID:	71809
PubChem CID:	48415472
Reduced:	ClON4H21C22 (1)
Stoich.:	ABC4D21E22 (1)
Weight, g/mol:	339.20591
ΔH_f, kcal/mol:	29.02
Dipole, Da:	1.52
IP(EA), eV:	-9.07(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C=C2C=C(C=CC2=N1)Cl)C(=O)N(C)CCCC3=NC4=CC=CC=C4N3

DOS

IR

Vibrations