Geometry & MOs

Info

ID:	72051
PubChem CID:	48415758
Reduced:	OSN5C23H25 (1)
Stoich.:	ABC5D23E25 (1)
Weight, g/mol:	392.23246
ΔH_f, kcal/mol:	47.73
Dipole, Da:	5.33
IP(EA), eV:	-8.66(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-methylpropanamide

Drug info:

PubChemData

Smile

CC1=C(SC2=NC(=NC(=C12)C)C3CC3)C(=O)N(C)CCCC4=NC5=CC=CC=C5N4

DOS

IR

Vibrations