Geometry & MOs

Info

ID:	71935
PubChem CID:	48415635
Reduced:	O3N5C22H29 (1)
Stoich.:	A3B5C22D29 (1)
Weight, g/mol:	391.212058
ΔH_f, kcal/mol:	-102.37
Dipole, Da:	5.02
IP(EA), eV:	-9.0(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-methylpropanamide

Drug info:

PubChemData

Smile

CN1C(=O)N(C(=O)C12CCCCC2)CC(=O)N(C)CCCC3=NC4=CC=CC=C4N3

DOS

IR

Vibrations