Geometry & MOs

Info

ID:	72347
PubChem CID:	48416072
Reduced:	O2N3C19H27 (1)
Stoich.:	A2B3C19D27 (1)
Weight, g/mol:	381.252861
ΔH_f, kcal/mol:	-69.59
Dipole, Da:	2.75
IP(EA), eV:	-9.07(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-1-tert-butyl-N-methyl-5-propan-2-ylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)COC3CCCCC3

DOS

IR

Vibrations