Geometry & MOs

Info

ID:	71897
PubChem CID:	48415590
Reduced:	OSN4C22H22 (1)
Stoich.:	ABC4D22E22 (1)
Weight, g/mol:	404.23246
ΔH_f, kcal/mol:	47.77
Dipole, Da:	4.25
IP(EA), eV:	-9.07(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyl-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2=CC=CC=C2)C(=O)N(C)CCCC3=NC4=CC=CC=C4N3

DOS

IR

Vibrations